data_2yty_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 2yty _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.2 mt -144.17 166.31 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.5 mt -129.86 164.87 23.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.43 -172.7 31.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.85 128.18 32.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -53.36 107.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.47 -42.73 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.3 m -152.08 144.08 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -126.75 115.12 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 -174.64 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -98.06 48.76 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -178.35 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -153.14 164.76 37.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.67 168.63 23.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -124.0 155.27 38.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -127.96 130.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.36 117.4 30.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.2 p -62.8 -175.65 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.26 -27.36 59.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.96 -24.1 41.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 m80 63.05 33.38 14.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.1 -27.93 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 170.8 10.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -137.03 144.93 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.7 mm -98.71 147.88 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -114.8 120.48 40.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -135.64 133.45 38.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -85.7 154.05 21.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -59.5 -28.52 67.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.36 -28.63 62.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.6 -26.6 45.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -79.2 126.09 30.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.24 95.31 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.46 -123.42 1.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.61 64.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.05 -26.82 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.22 -28.01 59.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.7 m -83.82 -27.34 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.8 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 mt -52.67 153.04 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -138.24 -174.1 3.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -84.38 119.09 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.84 -23.71 16.49 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.01 157.33 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.3 mtm -96.6 150.99 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.9 m -144.84 165.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -115.19 133.76 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -150.09 179.85 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -149.35 166.28 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.9 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.29 171.03 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -151.14 141.21 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.0 mttt 53.46 50.4 17.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.4 t -73.2 145.16 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.07 144.94 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -64.32 149.28 48.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.2 mmm-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mt -120.56 152.03 38.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.9 mt -100.77 167.54 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.8 174.51 39.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -132.2 133.33 44.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.901 0.381 . . . . 0.0 110.964 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 t -58.03 117.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.36 -37.91 10.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.1 m -154.02 145.95 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mt -127.26 129.18 47.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -119.14 -175.62 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -97.77 40.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -171.06 -39.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -151.46 153.18 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.57 -179.97 20.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -135.87 132.44 36.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -118.96 134.05 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.24 160.7 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 p -103.66 167.3 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.21 -25.57 59.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -91.05 -24.2 20.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.1 m80 59.46 39.61 21.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -104.44 -28.23 11.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -135.64 142.31 45.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -97.58 156.64 16.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.1 mm -111.85 146.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -123.06 110.92 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -122.72 141.71 51.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.821 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.18 151.84 23.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.02 -28.18 67.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.56 -30.43 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.11 -26.96 59.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -77.48 127.84 33.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 102.43 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.28 -141.75 10.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.51 87.45 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 p -86.43 -26.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.78 -27.09 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.44 32.28 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -87.11 162.91 17.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -134.74 175.9 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.79 118.58 29.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.4 -20.75 27.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.89 147.57 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.2 mtm -86.35 141.93 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.04 172.73 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -130.69 126.37 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -138.72 176.16 8.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.19 167.19 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.02 158.78 16.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -143.82 137.19 27.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 57.01 68.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.88 141.79 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -149.42 139.01 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 144.2 56.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 mt -117.2 155.76 28.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.48 156.72 30.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.37 -166.08 16.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -137.19 128.54 28.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.5 t -53.12 117.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.173 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.95 -42.07 10.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -154.07 141.05 19.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mt -125.38 107.55 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -92.05 -170.37 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -97.12 40.65 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.47 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -148.86 165.07 32.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.69 -179.87 16.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -134.28 152.72 51.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.9 mt -123.16 138.29 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -105.69 114.21 28.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.2 p -63.39 166.16 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.61 74.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -71.98 -24.12 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 63.21 35.69 12.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.54 -31.36 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -124.08 159.67 29.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -126.31 171.87 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.0 mm -127.03 149.8 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -117.46 125.19 50.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -138.57 141.26 39.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.36 148.89 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -53.81 -38.72 64.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -65.91 -29.93 70.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.52 -27.98 58.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.38 122.55 25.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.3 t -102.61 112.47 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.17 -137.96 9.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.27 85.98 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.59 -25.59 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.06 -45.49 33.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -58.72 -27.47 64.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.84 157.68 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -145.36 -173.87 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.9 mt -79.9 120.55 24.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.65 -27.81 11.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.19 154.32 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.1 mtm -94.58 147.04 23.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.7 m -145.16 145.42 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.33 137.84 39.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -154.86 174.19 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.57 172.59 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.15 154.61 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -137.41 127.77 26.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp 59.51 64.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.39 140.68 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -146.78 141.45 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 151.86 26.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.5 mt -139.03 124.96 19.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.17 159.83 14.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.76 -162.84 10.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -138.23 128.46 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.4 t -57.82 100.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.57 -57.52 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -138.95 146.0 40.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mt -127.55 109.76 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -100.91 -175.67 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -96.1 42.11 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.03 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -143.4 161.45 38.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.68 -179.49 16.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -138.23 161.38 37.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.5 mt -135.66 116.32 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.95 123.51 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -66.87 149.65 50.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.02 -37.98 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.44 -24.19 62.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.0 t-80 62.94 98.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -175.85 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.85 142.13 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.51 159.93 15.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.3 mm -119.89 149.67 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -126.34 115.37 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -130.78 133.71 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -80.12 152.13 29.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -60.09 -38.39 82.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -31.96 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -74.31 -26.69 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -76.76 145.01 38.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.62 100.2 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.55 -166.56 26.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.95 72.58 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.23 -26.99 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -75.2 -29.21 60.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 p -97.05 29.67 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -86.63 163.05 17.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -132.38 159.19 39.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.5 mt -76.0 124.27 27.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.93 -21.3 25.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.54 143.28 50.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.2 mtm -80.34 137.66 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.5 m -134.68 138.94 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.63 133.17 45.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -147.89 178.77 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -133.61 162.19 32.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -100.2 165.79 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.56 137.24 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm 52.95 76.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 t -93.7 148.3 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -163.47 134.11 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -53.03 159.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -126.74 163.09 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -135.31 152.17 51.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.22 -155.92 7.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -145.91 133.64 21.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.4 t -62.98 101.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.88 -52.17 6.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -131.5 135.41 47.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.31 113.02 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -107.69 -178.7 3.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -92.19 47.91 1.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.91 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -155.12 168.31 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.52 -170.19 12.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.537 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -145.42 140.14 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.5 mt -118.9 120.29 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -95.71 118.86 33.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.5 p -63.87 167.75 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.14 -31.43 67.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.42 -24.1 61.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 61.51 31.73 18.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.16 -32.87 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 151.96 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -122.15 161.04 23.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.9 mm -114.35 143.13 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -111.53 119.01 37.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -131.74 134.75 46.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.33 151.78 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -54.35 -31.79 55.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -32.79 70.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -74.47 -26.35 59.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -77.34 119.33 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.11 101.24 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.19 -134.88 6.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -102.46 96.4 6.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 p -90.17 -27.13 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -78.32 -33.22 49.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.2 t -73.09 -27.44 61.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.14 152.19 3.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.48 -176.3 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.7 mt -81.63 120.88 25.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.55 -24.77 23.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.0 145.69 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.5 mtm -86.68 154.88 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -145.76 159.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -115.17 130.68 56.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -149.9 173.89 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 m -139.32 163.67 31.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.9 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.5 159.66 15.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.7 126.37 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.27 59.83 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.27 147.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -155.48 141.56 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 150.0 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.7 mt -145.32 156.66 43.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.43 169.85 8.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.56 -169.42 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -140.4 131.68 26.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.938 0.399 . . . . 0.0 110.903 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 t -58.67 104.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.42 -49.05 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -142.95 133.43 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.95 104.35 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -95.44 -170.14 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -101.08 47.47 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.836 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -178.82 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -144.49 166.8 24.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.99 172.78 22.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.92 145.56 51.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -123.65 122.54 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.62 126.29 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.2 p -66.03 168.82 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.92 71.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -84.51 -24.14 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 62.17 50.96 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -115.57 -26.74 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -134.24 140.66 46.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.48 154.57 17.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.9 mm -117.65 144.69 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -122.82 112.66 18.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -123.72 135.06 53.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.21 146.08 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.63 -30.15 60.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -29.05 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.31 -26.38 58.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -76.55 120.87 22.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -103.94 92.47 4.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.24 -133.94 3.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -106.17 90.77 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -81.82 -28.29 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -74.78 -35.52 62.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.5 m -72.23 -28.96 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mt -52.2 156.58 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -142.71 174.61 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.33 124.98 25.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.0 -22.72 35.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.95 145.3 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.1 149.15 26.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 m -151.92 145.18 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.94 133.94 48.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -150.31 174.7 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.08 168.48 12.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.01 163.56 13.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -141.12 128.47 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.19 65.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.6 t -82.01 143.63 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -147.11 156.28 42.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.86 134.86 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.2 mt -124.43 157.88 34.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mt -118.83 161.7 19.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.95 -166.77 22.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -141.22 131.8 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.88 106.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.0 -43.68 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.8 m -152.65 137.84 17.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -118.47 108.81 15.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -91.84 -172.61 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.09 41.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -174.96 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -149.35 147.85 28.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.43 170.77 13.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -125.99 143.73 50.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.4 mt -126.64 119.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.66 109.94 20.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.9 p -51.8 166.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.57 -31.42 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -76.0 -24.13 55.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.7 m80 62.87 33.62 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -111.82 -26.45 8.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -130.62 151.38 51.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -115.64 143.01 45.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mm -97.9 146.31 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -119.64 113.57 20.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -126.4 138.73 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.78 147.39 24.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.41 -30.87 42.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 p -70.36 -32.75 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.36 -26.23 59.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -77.05 126.51 31.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -106.32 100.4 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.16 -151.96 24.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.13 82.6 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.53 -33.0 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.72 -26.51 64.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m -83.53 -27.01 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mt -52.81 146.07 11.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -116.21 -173.24 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.1 mt -95.01 131.34 41.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.49 -20.06 48.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.52 163.91 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.5 mtm -99.67 149.77 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.8 158.11 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.72 139.17 45.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -155.78 174.12 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -141.55 156.21 45.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.8 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.907 0.384 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.17 142.38 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.75 130.52 56.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt 58.09 62.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.1 t -76.76 142.92 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -152.87 137.27 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.09 165.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mt -129.51 150.24 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.78 173.75 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.47 -179.52 44.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -133.33 130.9 39.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.16 107.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.75 -41.19 23.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -152.87 144.34 23.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -124.88 99.89 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -90.89 -173.86 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.47 44.11 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.75 -42.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -144.39 169.61 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.62 161.13 24.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -117.9 149.14 41.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -126.27 125.92 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.06 131.69 36.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.2 p -77.34 157.25 30.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.09 -26.28 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.88 -24.16 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.7 m80 62.86 86.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.02 -41.08 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.55 138.52 48.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.81 139.02 36.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mm -84.54 147.36 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -112.34 117.33 32.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -134.67 133.36 39.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -82.38 149.43 27.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -54.41 -47.25 73.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 m -57.01 -31.19 64.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -73.84 -27.44 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -77.46 143.68 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.02 99.52 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.35 52.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.538 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 59.83 94.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -93.92 -29.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -31.16 69.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -79.24 -26.56 42.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mt -52.31 149.64 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -143.9 161.52 38.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.3 mt -57.59 128.15 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.3 -24.76 19.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -65.18 151.59 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.5 mtm -92.58 149.87 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.2 m -148.48 159.34 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.51 141.72 47.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -153.38 174.52 14.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 m -137.67 172.27 13.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.834 0.35 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.75 170.48 9.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.71 130.96 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 mttp 59.92 55.39 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.0 t -75.44 143.35 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -148.13 137.84 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.93 153.52 17.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.85 147.2 27.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mt -110.45 157.07 19.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.05 -165.95 18.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -141.25 142.04 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.14 109.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.77 -37.28 15.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.4 m -150.06 133.93 16.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -119.3 121.57 39.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -111.34 -172.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.26 42.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.91 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -146.34 166.72 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.08 172.33 22.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -130.46 143.45 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.1 mt -115.11 136.72 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.71 121.11 41.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -74.2 161.81 29.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.56 -29.05 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -80.17 -24.14 40.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 60.81 40.99 15.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -118.65 -35.84 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 141.24 51.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -107.2 165.16 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.2 mm -115.05 145.61 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -115.82 115.02 25.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -131.53 134.13 45.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.13 153.38 24.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -57.99 -50.28 73.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -31.43 58.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.37 -27.0 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -79.85 108.74 13.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -88.61 100.26 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.08 -158.73 28.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -85.65 60.43 6.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.57 -27.19 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.71 -32.93 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 36.99 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt -90.09 163.48 14.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -138.9 167.53 21.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.2 mt -80.58 129.5 34.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.23 -21.95 30.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.62 134.0 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtm -72.0 150.66 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.37 145.37 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.44 140.75 37.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -155.39 177.52 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.14 166.93 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.882 0.373 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.0 143.07 26.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -123.97 131.79 53.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 59.79 69.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.18 142.93 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -144.89 136.35 25.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.78 125.52 24.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -123.37 153.47 40.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.9 mt -121.3 156.21 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.53 -163.51 13.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -140.16 131.89 27.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.4 t -53.78 105.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.75 -46.45 14.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.9 m -142.46 133.17 25.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.8 112.25 17.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -105.69 -178.28 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.58 46.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.27 -44.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -144.0 164.59 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.25 178.18 18.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -136.88 139.72 41.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.6 mt -112.95 128.44 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -100.56 119.33 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 p -68.84 172.87 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.83 -36.07 78.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -71.93 -24.07 61.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.9 m80 57.98 37.15 26.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.33 -26.74 7.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.62 151.58 42.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -117.0 155.03 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.3 mm -113.87 147.05 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -119.06 109.17 15.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -124.73 131.98 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.48 148.28 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.54 -44.89 73.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.8 p -58.22 -29.62 65.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -77.18 -26.57 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -77.47 119.2 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 t -98.56 93.8 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.97 -147.12 14.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -101.65 71.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.827 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.97 -28.96 44.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.86 -32.27 67.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -78.51 -27.24 46.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.32 159.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -142.68 -174.75 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 mt -84.67 126.61 33.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.81 -27.48 16.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.466 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.92 161.74 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.319 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.3 mtm -99.05 156.38 16.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 m -149.08 160.42 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.68 131.81 55.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -154.85 -179.41 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 p -141.25 164.58 29.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.962 0.41 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -94.64 128.35 41.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.58 132.51 52.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm 57.37 74.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.17 142.65 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -149.12 147.93 29.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.53 134.44 45.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -142.51 165.16 28.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.2 mt -128.86 160.72 31.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.43 -158.53 9.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -142.49 132.11 23.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.5 t -58.34 104.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.71 -51.16 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.2 m -142.97 135.52 27.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -123.93 109.68 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -97.25 -171.23 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -97.38 45.07 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -177.21 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -148.02 161.9 40.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.04 179.02 17.53 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -137.56 147.48 45.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -118.55 126.82 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -94.84 135.24 36.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -79.23 165.15 23.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.29 -33.88 69.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -77.34 -24.15 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 61.77 32.54 18.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -104.53 -28.03 11.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.21 176.29 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -135.2 163.98 28.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.8 mm -126.9 146.53 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -124.0 117.25 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -133.74 135.26 43.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.1 153.58 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -57.35 -36.32 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.9 p -66.3 -27.85 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -75.79 -26.67 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -80.12 130.11 34.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.43 105.27 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.78 -146.47 17.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -96.89 79.0 2.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.44 -25.55 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -71.35 -35.32 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.97 -28.71 62.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.17 152.11 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -139.45 -173.64 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.7 mt -83.21 122.55 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.18 -32.51 6.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.17 148.28 11.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.4 mtm -84.13 152.95 24.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.0 m -146.97 152.13 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.13 129.14 46.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -153.46 179.24 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.5 m -151.61 169.59 21.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.54 160.59 14.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -138.9 137.28 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.8 mttt 52.84 62.23 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.6 t -81.93 146.42 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -150.75 135.99 17.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 145.26 31.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.853 0.358 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.1 mt -135.96 157.6 46.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.9 mt -122.56 149.67 43.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.95 179.1 24.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -123.05 128.82 50.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.7 100.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.52 -43.13 50.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.3 m -152.96 142.53 21.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -127.5 119.08 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -102.91 -173.62 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -96.17 38.32 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.64 -46.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -146.58 145.31 30.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.9 173.81 17.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -130.56 142.23 50.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.4 mt -117.78 136.08 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -100.8 132.01 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.9 p -77.61 153.85 32.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.49 69.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -71.41 -24.17 62.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 62.84 81.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -160.12 -41.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.91 143.55 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.34 170.1 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.9 mm -122.22 148.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -121.74 113.82 20.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -127.16 132.47 50.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -81.55 146.02 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -54.19 -38.77 65.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -64.89 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.61 -26.71 50.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -77.0 140.95 40.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.14 99.59 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.04 50.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 62.61 90.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.9 p -89.47 -27.91 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -75.44 -30.31 59.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t -73.17 -27.54 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -53.38 161.61 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.1 177.12 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.18 128.66 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.88 -25.09 28.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.65 148.24 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.338 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.2 mtm -90.55 143.59 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.26 165.98 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -122.37 138.56 54.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -153.33 172.95 16.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p -128.1 171.9 11.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.884 0.373 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.11 167.62 11.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.94 141.1 18.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt 57.21 39.88 28.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.94 141.43 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -153.37 136.62 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.46 152.4 18.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.109 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.7 mt -144.91 148.18 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.0 mt -111.15 173.86 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.38 -157.05 13.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -144.51 128.21 17.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.93 104.89 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.67 -53.68 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -144.11 139.38 28.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -120.62 101.92 8.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -85.59 -174.35 5.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.85 38.5 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -167.23 -43.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -150.32 148.2 28.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.75 169.98 13.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -126.11 152.49 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.0 mt -132.49 118.07 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.72 120.69 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.2 p -60.23 168.13 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.29 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -78.44 -24.09 46.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 62.27 33.67 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.71 -34.79 8.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.22 149.64 47.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.58 157.36 17.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.6 mm -116.77 148.47 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -127.73 114.82 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -126.79 141.1 51.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.28 154.27 19.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.49 -39.62 88.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.51 -27.97 68.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.22 -26.47 52.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -77.68 128.85 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.16 114.15 27.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.37 -119.23 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.46 90.32 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.2 p -82.28 -27.67 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -38.88 67.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -27.17 62.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.47 158.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -136.99 -174.69 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -86.39 125.22 33.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.66 -28.03 16.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.466 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.86 150.56 7.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.323 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.9 mtm -86.35 148.49 25.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 m -148.13 158.89 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -110.26 141.25 43.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -160.45 168.42 25.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -132.99 169.34 16.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.97 169.93 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -151.95 142.77 22.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 55.42 44.95 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.78 136.89 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -140.81 148.71 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.32 132.42 43.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.2 mt -121.8 131.44 54.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.39 153.65 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.2 -173.77 22.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -131.25 133.92 45.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.2 t -52.77 122.01 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.8 -40.49 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.8 m -156.3 128.92 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.96 104.57 11.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -93.68 -172.88 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -95.63 41.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -174.48 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -153.4 168.79 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -144.48 176.65 23.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.533 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -130.08 149.36 51.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -118.35 137.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.05 137.74 35.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.7 p -84.16 165.21 18.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.0 -31.78 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -86.82 -24.15 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 60.49 47.91 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.09 -26.99 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -123.71 160.5 27.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.04 151.21 28.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.2 mm -116.42 148.23 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -129.48 120.58 25.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -133.24 135.94 45.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.58 145.52 31.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -56.43 -32.96 65.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.0 t -70.78 -27.17 63.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.88 -27.0 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -76.75 129.92 36.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -110.65 108.68 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 142.72 -134.33 5.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -110.06 82.32 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.51 -26.5 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.24 -31.39 60.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.2 p -77.93 -27.37 49.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.46 157.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.41 -179.94 6.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.6 mt -77.45 124.42 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.59 -24.4 19.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.51 159.37 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.7 mtm -99.83 149.38 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 m -144.91 146.86 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -100.12 132.81 45.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -150.77 175.19 12.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 m -135.52 165.94 24.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.04 138.78 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -121.38 141.17 51.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm 52.63 63.17 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.0 t -81.92 141.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -152.22 132.49 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 137.78 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -130.86 155.28 47.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.5 mt -107.22 171.54 7.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.978 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.94 -178.28 41.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -133.47 138.53 46.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.958 0.408 . . . . 0.0 110.917 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.58 111.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.82 -36.8 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 m -147.4 136.49 22.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -127.43 99.77 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -95.2 174.9 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -88.76 50.47 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -178.6 -42.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -150.12 149.16 29.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.86 -176.92 21.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -143.13 138.0 29.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.8 mt -123.28 129.68 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.64 129.32 45.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.8 p -70.22 166.39 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.83 -29.09 69.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -75.22 -24.08 57.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 59.76 39.44 20.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.71 -33.16 5.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.33 156.61 42.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.12 150.52 33.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.1 mm -105.41 147.39 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -124.99 112.48 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -125.22 136.01 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -85.2 151.11 24.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -56.88 -27.06 60.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -33.28 65.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -74.61 -26.27 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.28 138.86 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -116.28 100.44 7.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.68 -147.52 18.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -99.05 75.63 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.19 -27.14 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -36.07 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -27.03 65.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.99 160.04 3.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -150.12 179.46 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.8 mt -76.36 118.95 19.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.93 16.14 11.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -105.85 151.49 24.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.773 0.32 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtm -90.16 150.67 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.3 m -150.31 153.9 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -110.34 138.43 46.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -152.16 175.77 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.03 166.48 24.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.874 0.368 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.21 153.33 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.44 140.16 37.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt 61.24 50.47 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.9 t -79.18 130.24 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -142.06 142.3 32.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.37 153.91 14.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.2 mt -107.01 134.28 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.4 mt -102.84 164.24 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.76 -164.77 20.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.45 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -144.53 140.12 28.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.44 125.18 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.69 -33.22 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -152.53 136.32 16.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mt -123.83 99.6 6.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -96.99 178.43 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.19 45.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -173.21 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -152.95 165.56 35.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.7 177.42 18.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -135.32 147.53 49.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.28 127.06 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -94.72 148.55 22.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -96.15 164.04 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.53 -29.38 58.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -83.58 -24.16 31.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 59.79 41.62 17.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -111.97 -29.49 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -133.17 142.57 48.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -104.81 160.22 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mm -112.52 148.46 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -121.93 115.73 23.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -130.65 137.73 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.78 153.96 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -59.9 -30.27 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -29.48 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -77.34 -26.35 51.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -79.99 123.15 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.4 t -106.45 93.05 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.88 -152.32 22.94 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.33 68.87 9.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.33 -27.54 37.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -77.05 -28.35 54.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.75 27.81 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -89.9 162.39 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -140.16 174.29 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 mt -84.97 136.71 33.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.3 16.14 57.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.44 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.72 160.07 14.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.764 0.316 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.7 mtm -98.78 144.51 27.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.5 m -148.54 168.47 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.95 140.09 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -157.35 177.28 11.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 m -149.06 160.56 43.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.937 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.59 148.27 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -129.6 131.84 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt 55.34 67.21 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.3 t -83.12 143.01 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -142.13 150.62 41.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.1 153.3 43.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.853 0.359 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mt -117.13 146.09 43.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 mt -110.74 174.57 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.22 -179.13 42.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -134.46 125.5 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 110.942 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.9 t -52.61 111.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.7 -38.61 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -150.08 139.82 21.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.39 105.02 9.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -91.78 -172.16 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -100.56 40.97 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.48 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -151.98 150.28 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.82 176.21 17.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -131.93 142.98 49.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -120.46 129.3 75.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -101.41 120.86 40.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.8 p -67.08 167.91 11.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.25 -26.58 68.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -80.68 -24.16 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 62.63 41.4 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -114.8 -42.07 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -126.21 145.27 50.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -108.67 167.72 9.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 mm -116.62 145.88 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -117.07 109.17 16.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -120.32 138.0 53.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.48 144.42 27.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -53.89 -32.08 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -34.12 73.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -74.77 -26.37 59.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -76.41 139.49 40.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.57 108.64 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.05 -169.38 22.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.4 81.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.11 -31.87 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.1 -27.99 63.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 p -78.1 -27.15 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -52.63 154.43 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -142.62 -174.49 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.93 126.35 31.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.47 16.11 25.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.9 141.31 36.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.5 mtm -80.69 141.7 34.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.33 156.01 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -106.39 149.26 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -165.07 179.16 6.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p -149.41 170.7 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.88 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.24 167.76 12.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.77 134.58 16.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 57.25 51.55 10.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.2 t -72.16 134.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -147.41 142.26 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 135.56 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 mt -100.94 174.51 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.4 mt -130.5 165.89 21.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.92 -174.78 38.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -130.23 141.88 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.2 t -60.87 112.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.63 -42.95 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -157.3 124.09 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mt -111.08 115.15 28.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -102.41 -173.45 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.14 37.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.41 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -135.21 164.84 26.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.6 174.93 21.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -136.59 144.53 44.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.842 0.353 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.1 mt -117.96 125.11 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -87.6 119.32 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 p -61.65 169.39 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.32 -31.2 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -84.51 -24.15 29.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.8 m80 62.47 48.7 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -116.23 -28.15 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -121.1 177.91 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -134.56 124.07 24.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 mm -85.31 147.42 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -124.88 111.6 15.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -126.68 135.93 51.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -85.24 145.46 27.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -52.83 -45.69 67.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -29.35 68.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -75.77 -26.31 57.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -76.61 135.9 39.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.31 97.98 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.74 49.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 54.63 75.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.1 p -69.72 -26.4 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -28.21 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 m -79.86 -27.8 40.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -52.43 159.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -159.41 153.01 22.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.68 126.4 23.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.39 16.05 14.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -117.1 150.78 38.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.9 mtm -84.83 146.59 27.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 m -139.6 151.1 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -110.74 130.09 55.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -149.42 173.24 13.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -139.12 172.99 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.93 165.5 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -139.77 128.6 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp 54.01 68.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.53 137.67 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -149.61 141.16 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.41 161.21 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 mt -114.54 143.55 44.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mt -105.56 158.11 16.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.95 179.76 37.1 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -131.37 138.05 48.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.85 109.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.78 -45.85 16.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 m -145.92 143.59 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -126.02 101.21 6.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -89.95 -172.14 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.3 43.82 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -176.42 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -155.95 150.41 25.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.77 -174.28 19.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -137.1 150.43 47.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.0 mt -125.6 120.34 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.75 130.07 35.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.8 p -74.29 161.56 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.95 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.34 -24.12 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 63.19 73.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.91 -47.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.37 145.08 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -107.6 156.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.1 mm -102.51 147.85 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -111.55 118.19 35.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -131.05 138.72 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.07 152.09 21.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -57.86 -35.7 71.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.8 m -66.86 -31.43 72.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.04 -26.88 59.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -79.56 139.51 37.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.16 102.21 8.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.19 -151.18 23.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -91.13 71.38 6.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.3 p -74.08 -25.62 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.68 -27.49 61.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.11 27.99 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 mt -79.13 157.7 27.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.63 160.07 34.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.16 144.31 44.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.66 16.08 74.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.1 150.17 22.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.79 0.328 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.5 mtm -86.69 137.32 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 m -142.19 155.77 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -114.34 142.63 46.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -161.68 170.76 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -119.25 172.69 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.351 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -102.05 157.64 16.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.37 127.27 29.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? 59.65 72.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.0 t -90.73 145.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.41 149.69 28.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -68.06 143.65 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mt -90.66 150.47 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mt -105.0 171.64 7.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.27 -175.21 37.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.45 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -137.09 128.19 27.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.3 119.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.09 -30.93 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 m -154.36 132.15 11.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 mt -125.18 104.31 8.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -99.7 -173.33 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -98.2 46.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -176.7 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -152.57 165.2 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.76 177.46 18.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -131.8 150.31 52.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.7 mt -130.05 112.17 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.65 123.19 31.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.1 p -67.87 165.85 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.48 -26.64 65.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.068 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -80.66 -24.2 39.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.9 m80 59.46 31.86 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -108.33 -29.11 9.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -127.3 139.91 52.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -100.74 160.24 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.0 mm -121.46 147.63 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -127.0 112.92 15.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -124.83 140.26 53.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.24 152.22 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -58.14 -42.11 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -31.78 69.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -75.92 -26.7 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -77.47 121.11 23.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.9 102.0 11.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.27 -133.77 4.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.08 87.46 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.46 -27.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.94 -43.24 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -62.79 -26.88 68.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mt -52.3 154.32 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -148.45 156.95 43.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.88 122.28 14.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.31 16.08 14.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -108.18 167.37 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.1 mtm -99.57 146.5 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.8 m -149.77 142.99 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.53 143.07 31.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -153.48 179.77 8.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.51 159.77 40.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.56 141.81 28.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.4 143.24 49.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 53.45 68.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.62 147.74 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.42 149.05 18.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.19 165.72 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.34 -171.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -136.29 162.26 33.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.39 -121.49 1.07 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -30.75 68.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.81 96.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.38 -149.41 2.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -108.81 80.63 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mp -115.12 -39.4 3.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pp -83.0 147.26 28.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.55 -115.6 1.02 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.8 144.34 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.72 100.85 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.74 -40.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -113.28 35.9 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.29 115.67 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.79 172.6 13.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -115.6 147.14 41.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.2 mt -144.17 166.31 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.5 mt -129.86 164.87 23.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.43 -172.7 31.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.85 128.18 32.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -53.36 107.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.47 -42.73 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.3 m -152.08 144.08 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -126.75 115.12 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 -174.64 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -98.06 48.76 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -178.35 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -153.14 164.76 37.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.67 168.63 23.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -124.0 155.27 38.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -127.96 130.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.36 117.4 30.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.2 p -62.8 -175.65 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.26 -27.36 59.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.96 -24.1 41.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 m80 63.05 33.38 14.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.1 -27.93 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 170.8 10.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -137.03 144.93 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.7 mm -98.71 147.88 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -114.8 120.48 40.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -135.64 133.45 38.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -85.7 154.05 21.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -59.5 -28.52 67.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.36 -28.63 62.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.6 -26.6 45.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -79.2 126.09 30.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.24 95.31 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.46 -123.42 1.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.61 64.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.05 -26.82 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.22 -28.01 59.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.7 m -83.82 -27.34 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.8 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 mt -52.67 153.04 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -138.24 -174.1 3.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -84.38 119.09 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.84 -23.71 16.49 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.01 157.33 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.3 mtm -96.6 150.99 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.9 m -144.84 165.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -115.19 133.76 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -150.09 179.85 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -149.35 166.28 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.9 mt -125.84 153.19 44.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 t -153.9 54.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -147.17 158.76 44.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.55 -155.14 1.99 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -83.45 112.62 20.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.36 160.02 33.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -75.1 -27.66 59.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.75 102.05 12.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.6 p -126.87 144.52 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.49 149.97 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.29 171.03 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -151.14 141.21 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.0 mttt 53.46 50.4 17.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.4 t -73.2 145.16 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.07 144.94 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -64.32 149.28 48.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -150.11 144.68 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.8 t -89.39 164.33 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.36 -177.63 14.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.94 24.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -174.15 163.34 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.7 m -57.65 114.31 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 55.49 89.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.36 28.24 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.806 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.78 81.19 0.34 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 m -104.56 158.13 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -107.03 79.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.98 130.38 47.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.35 117.41 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.91 175.34 5.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -172.74 137.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.13 128.64 5.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.02 96.94 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -53.96 -49.59 68.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.01 162.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -96.91 60.38 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.4 m -160.67 101.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -64.36 -41.72 96.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.2 mmm-85 54.05 85.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mt -120.56 152.03 38.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.9 mt -100.77 167.54 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.8 174.51 39.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -132.2 133.33 44.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.901 0.381 . . . . 0.0 110.964 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 t -58.03 117.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.36 -37.91 10.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.1 m -154.02 145.95 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mt -127.26 129.18 47.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -119.14 -175.62 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -97.77 40.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -171.06 -39.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -151.46 153.18 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.57 -179.97 20.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -135.87 132.44 36.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -118.96 134.05 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.24 160.7 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 p -103.66 167.3 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.21 -25.57 59.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -91.05 -24.2 20.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.1 m80 59.46 39.61 21.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -104.44 -28.23 11.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -135.64 142.31 45.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -97.58 156.64 16.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.1 mm -111.85 146.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -123.06 110.92 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -122.72 141.71 51.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.821 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.18 151.84 23.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.02 -28.18 67.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.56 -30.43 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.11 -26.96 59.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -77.48 127.84 33.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 102.43 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.28 -141.75 10.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.51 87.45 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 p -86.43 -26.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.78 -27.09 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.44 32.28 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -87.11 162.91 17.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -134.74 175.9 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.79 118.58 29.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.4 -20.75 27.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.89 147.57 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.2 mtm -86.35 141.93 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.04 172.73 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -130.69 126.37 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -138.72 176.16 8.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.19 167.19 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.7 mt -132.38 143.04 49.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.9 p -142.54 60.69 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -167.67 131.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.3 -151.27 7.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 52.65 89.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.09 92.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -159.02 -61.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.925 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.97 113.56 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 t -137.95 140.14 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.06 163.25 12.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.02 158.78 16.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -143.82 137.19 27.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 57.01 68.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.88 141.79 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -149.42 139.01 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 144.2 56.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 t -129.15 131.89 47.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -45.79 76.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.87 165.89 21.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.98 2.13 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.95 -174.77 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.4 m 55.66 60.89 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.83 -33.43 70.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.28 -176.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.91 140.81 4.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -85.84 159.53 19.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -71.94 101.45 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.69 -139.47 5.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -147.99 159.21 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.97 118.13 13.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.66 118.05 33.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.17 -164.09 36.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 111.86 3.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.69 136.17 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.33 -174.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -113.03 -27.89 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.66 38.42 12.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -142.66 127.81 18.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -142.72 125.87 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 mt -117.2 155.76 28.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.48 156.72 30.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.37 -166.08 16.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -137.19 128.54 28.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.5 t -53.12 117.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.173 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.95 -42.07 10.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -154.07 141.05 19.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mt -125.38 107.55 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -92.05 -170.37 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -97.12 40.65 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.47 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -148.86 165.07 32.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.69 -179.87 16.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -134.28 152.72 51.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.9 mt -123.16 138.29 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -105.69 114.21 28.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.2 p -63.39 166.16 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.61 74.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -71.98 -24.12 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 63.21 35.69 12.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.54 -31.36 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -124.08 159.67 29.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -126.31 171.87 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.0 mm -127.03 149.8 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -117.46 125.19 50.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -138.57 141.26 39.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.36 148.89 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -53.81 -38.72 64.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -65.91 -29.93 70.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.52 -27.98 58.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.38 122.55 25.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.3 t -102.61 112.47 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.17 -137.96 9.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.27 85.98 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.59 -25.59 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.06 -45.49 33.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -58.72 -27.47 64.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.84 157.68 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -145.36 -173.87 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.9 mt -79.9 120.55 24.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.65 -27.81 11.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.19 154.32 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.1 mtm -94.58 147.04 23.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.7 m -145.16 145.42 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.33 137.84 39.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -154.86 174.19 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.57 172.59 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.6 mt -133.92 152.26 51.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.93 -177.89 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.97 136.02 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.26 149.55 5.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -115.74 32.7 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.82 83.38 1.04 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m120 57.93 69.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.92 179.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -102.5 145.69 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.06 167.82 14.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.15 154.61 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -137.41 127.77 26.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp 59.51 64.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.39 140.68 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -146.78 141.45 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 151.86 26.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t -154.18 128.71 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.8 87.84 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.99 167.58 11.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 178.63 4.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.31 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.16 -178.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.78 122.94 42.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.02 164.47 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.83 177.82 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.92 -67.95 0.33 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -131.36 141.29 49.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.385 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -92.73 136.26 33.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.68 148.13 16.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -65.47 140.7 58.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pp -95.33 172.18 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.78 108.34 19.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.32 43.1 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.527 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? 56.42 84.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -136.63 92.68 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.68 -45.23 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -58.39 -41.34 84.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.13 61.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.34 115.52 28.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? -119.7 130.21 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.5 mt -139.03 124.96 19.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.17 159.83 14.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.76 -162.84 10.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -138.23 128.46 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.4 t -57.82 100.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.57 -57.52 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -138.95 146.0 40.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mt -127.55 109.76 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -100.91 -175.67 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -96.1 42.11 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.03 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -143.4 161.45 38.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.68 -179.49 16.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -138.23 161.38 37.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.5 mt -135.66 116.32 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.95 123.51 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -66.87 149.65 50.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.02 -37.98 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.44 -24.19 62.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.0 t-80 62.94 98.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -175.85 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.85 142.13 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.51 159.93 15.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.3 mm -119.89 149.67 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -126.34 115.37 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -130.78 133.71 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -80.12 152.13 29.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -60.09 -38.39 82.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -31.96 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -74.31 -26.69 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -76.76 145.01 38.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.62 100.2 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.55 -166.56 26.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.95 72.58 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.23 -26.99 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -75.2 -29.21 60.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 p -97.05 29.67 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -86.63 163.05 17.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -132.38 159.19 39.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.5 mt -76.0 124.27 27.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.93 -21.3 25.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.54 143.28 50.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.2 mtm -80.34 137.66 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.5 m -134.68 138.94 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.63 133.17 45.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -147.89 178.77 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -133.61 162.19 32.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.6 mt -123.97 130.67 52.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.0 p -118.04 51.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.52 -62.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.25 -66.63 0.24 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.44 109.34 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.832 0.348 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -155.23 161.28 30.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.497 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -44.42 66.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.39 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.67 105.17 9.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.13 127.17 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.46 173.53 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -100.2 165.79 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.56 137.24 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm 52.95 76.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 t -93.7 148.3 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -163.47 134.11 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -53.03 159.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 t -144.37 138.72 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 m 54.33 85.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.39 177.87 44.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 171.28 14.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.9 m -140.96 -67.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.83 125.65 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.491 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -64.99 128.06 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -106.27 -68.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.33 171.2 32.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.49 168.35 10.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.04 -45.72 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.03 122.34 0.85 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mtm-85 -114.07 160.79 18.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pp -128.08 -177.46 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 117.43 28.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.79 81.49 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -78.61 65.68 3.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -103.4 86.22 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.06 -172.94 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -88.33 164.67 15.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -84.8 139.28 32.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -173.09 92.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -100.05 131.96 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -126.74 163.09 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -135.31 152.17 51.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.22 -155.92 7.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -145.91 133.64 21.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.4 t -62.98 101.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.88 -52.17 6.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -131.5 135.41 47.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.31 113.02 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -107.69 -178.7 3.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -92.19 47.91 1.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.91 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -155.12 168.31 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.52 -170.19 12.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.537 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -145.42 140.14 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.5 mt -118.9 120.29 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -95.71 118.86 33.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.5 p -63.87 167.75 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.14 -31.43 67.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.42 -24.1 61.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 61.51 31.73 18.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.16 -32.87 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 151.96 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -122.15 161.04 23.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.9 mm -114.35 143.13 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -111.53 119.01 37.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -131.74 134.75 46.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.33 151.78 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -54.35 -31.79 55.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -32.79 70.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -74.47 -26.35 59.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -77.34 119.33 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.11 101.24 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.19 -134.88 6.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -102.46 96.4 6.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 p -90.17 -27.13 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -78.32 -33.22 49.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.2 t -73.09 -27.44 61.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.14 152.19 3.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.48 -176.3 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.7 mt -81.63 120.88 25.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.55 -24.77 23.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.0 145.69 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.5 mtm -86.68 154.88 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -145.76 159.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -115.17 130.68 56.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -149.9 173.89 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 m -139.32 163.67 31.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.51 145.95 38.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 p -122.25 138.82 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mttt 60.31 175.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.67 136.98 43.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -60.2 -49.12 78.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.15 -133.84 48.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.48 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -106.02 -28.21 10.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -116.15 106.83 14.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p -117.41 150.21 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.85 175.37 9.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.5 159.66 15.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.7 126.37 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.27 59.83 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.27 147.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -155.48 141.56 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 150.0 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 t -135.78 32.75 2.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 m -143.26 86.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.15 179.36 42.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.28 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 t 57.7 62.38 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -162.18 74.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.432 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -85.04 -42.98 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.892 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.75 -175.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.08 -36.57 4.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m 55.32 43.48 28.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -109.49 174.23 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.52 -115.08 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -76.2 133.83 40.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.82 106.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mp 52.48 39.42 27.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.54 61.5 4.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.4 172.24 14.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -110.5 155.67 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 p -127.73 125.28 39.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -61.73 117.5 5.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.01 151.66 23.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -72.24 166.97 21.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -113.73 142.03 46.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.7 mt -145.32 156.66 43.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.43 169.85 8.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.56 -169.42 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -140.4 131.68 26.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.938 0.399 . . . . 0.0 110.903 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 t -58.67 104.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.42 -49.05 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -142.95 133.43 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.95 104.35 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -95.44 -170.14 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -101.08 47.47 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.836 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -178.82 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -144.49 166.8 24.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.99 172.78 22.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.92 145.56 51.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -123.65 122.54 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.62 126.29 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.2 p -66.03 168.82 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.92 71.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -84.51 -24.14 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 62.17 50.96 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -115.57 -26.74 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -134.24 140.66 46.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.48 154.57 17.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.9 mm -117.65 144.69 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -122.82 112.66 18.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -123.72 135.06 53.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.21 146.08 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.63 -30.15 60.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -29.05 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.31 -26.38 58.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -76.55 120.87 22.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -103.94 92.47 4.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.24 -133.94 3.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -106.17 90.77 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -81.82 -28.29 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -74.78 -35.52 62.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.5 m -72.23 -28.96 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mt -52.2 156.58 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -142.71 174.61 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.33 124.98 25.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.0 -22.72 35.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.95 145.3 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.1 149.15 26.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 m -151.92 145.18 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.94 133.94 48.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -150.31 174.7 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.08 168.48 12.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.3 mt -128.32 144.71 51.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.3 -171.37 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -52.28 55.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.44 -157.01 53.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -56.2 -68.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.01 -55.22 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -105.9 -30.16 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -95.47 124.94 39.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.6 t -113.84 126.67 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m -113.5 177.35 4.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.01 163.56 13.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -141.12 128.47 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.19 65.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.6 t -82.01 143.63 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -147.11 156.28 42.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.86 134.86 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.0 t -125.28 35.24 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 t -146.52 112.3 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.57 170.13 54.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 93.27 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.639 2.226 . . . . 0.0 112.369 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -61.14 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -114.54 70.89 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -92.09 155.39 18.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -140.82 136.44 32.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.58 139.43 45.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.77 140.1 36.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.89 147.72 22.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.39 130.03 2.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.61 119.15 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.73 160.76 22.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mp -136.65 78.94 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.48 129.37 19.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -79.54 117.72 20.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.354 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -139.83 168.95 18.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.13 163.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -91.81 153.98 19.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.14 118.65 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.14 128.06 55.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -129.62 128.22 42.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.2 mt -124.43 157.88 34.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mt -118.83 161.7 19.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.95 -166.77 22.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -141.22 131.8 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.88 106.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.0 -43.68 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.8 m -152.65 137.84 17.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -118.47 108.81 15.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -91.84 -172.61 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.09 41.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -174.96 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -149.35 147.85 28.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.43 170.77 13.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -125.99 143.73 50.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.4 mt -126.64 119.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.66 109.94 20.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.9 p -51.8 166.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.57 -31.42 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -76.0 -24.13 55.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.7 m80 62.87 33.62 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -111.82 -26.45 8.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -130.62 151.38 51.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -115.64 143.01 45.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mm -97.9 146.31 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -119.64 113.57 20.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -126.4 138.73 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.78 147.39 24.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.41 -30.87 42.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 p -70.36 -32.75 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.36 -26.23 59.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -77.05 126.51 31.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -106.32 100.4 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.16 -151.96 24.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.13 82.6 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.53 -33.0 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.72 -26.51 64.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m -83.53 -27.01 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mt -52.81 146.07 11.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -116.21 -173.24 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.1 mt -95.01 131.34 41.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.49 -20.06 48.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.52 163.91 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.5 mtm -99.67 149.77 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.8 158.11 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.72 139.17 45.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -155.78 174.12 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -141.55 156.21 45.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.8 mt -105.24 125.67 51.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 p -112.01 -178.72 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -87.84 129.96 35.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.08 -50.77 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -134.03 -175.41 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.95 -38.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.19 -49.57 22.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.36 117.0 26.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p -100.34 139.13 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.45 177.17 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.17 142.38 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.75 130.52 56.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt 58.09 62.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.1 t -76.76 142.92 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -152.87 137.27 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.09 165.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 t -155.83 138.75 15.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.11 161.17 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.63 -171.77 45.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.0 9.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 p -78.56 177.94 8.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.13 179.23 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.31 117.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p -147.32 126.56 13.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.43 -52.57 0.3 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.21 178.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.78 142.55 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.47 -163.92 10.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -87.48 97.33 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.82 -36.32 21.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tp -82.5 159.93 22.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.4 110.01 2.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -100.49 92.99 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -122.06 92.22 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.35 110.51 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -117.91 150.19 39.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 m 56.67 -171.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.48 133.8 55.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.74 132.38 45.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mt -129.51 150.24 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.78 173.75 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.47 -179.52 44.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -133.33 130.9 39.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.16 107.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.75 -41.19 23.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -152.87 144.34 23.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -124.88 99.89 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -90.89 -173.86 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.47 44.11 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.75 -42.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -144.39 169.61 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.62 161.13 24.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -117.9 149.14 41.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -126.27 125.92 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.06 131.69 36.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.2 p -77.34 157.25 30.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.09 -26.28 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.88 -24.16 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.7 m80 62.86 86.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.02 -41.08 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.55 138.52 48.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.81 139.02 36.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mm -84.54 147.36 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -112.34 117.33 32.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -134.67 133.36 39.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -82.38 149.43 27.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -54.41 -47.25 73.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 m -57.01 -31.19 64.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -73.84 -27.44 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -77.46 143.68 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.02 99.52 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.35 52.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.538 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 59.83 94.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -93.92 -29.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -31.16 69.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -79.24 -26.56 42.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mt -52.31 149.64 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -143.9 161.52 38.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.3 mt -57.59 128.15 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.3 -24.76 19.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -65.18 151.59 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.5 mtm -92.58 149.87 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.2 m -148.48 159.34 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.51 141.72 47.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -153.38 174.52 14.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 m -137.67 172.27 13.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.9 mt -125.74 143.2 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.65 33.15 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.27 87.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.96 171.21 0.92 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.526 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -155.05 43.22 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -168.44 34.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.515 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.8 t30 58.4 29.41 18.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.922 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -161.99 109.2 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 t -94.63 121.54 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.06 168.12 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.75 170.48 9.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.71 130.96 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 mttp 59.92 55.39 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.0 t -75.44 143.35 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -148.13 137.84 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.93 153.52 17.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t -160.14 152.84 21.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -119.44 107.05 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.65 175.99 2.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 104.89 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.382 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -126.06 -64.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.8 t -165.48 160.3 17.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.0 176.5 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.822 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -127.81 167.72 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.63 -61.9 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.32 88.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.846 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -69.02 -178.4 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.63 -154.01 7.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.95 99.74 6.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.49 141.0 58.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.67 150.47 7.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.07 149.15 21.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.54 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -132.31 147.37 52.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -60.28 -44.91 94.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.0 t 56.43 71.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -132.54 145.05 50.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.9 -172.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.59 101.59 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -87.34 132.96 33.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.85 147.2 27.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mt -110.45 157.07 19.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.05 -165.95 18.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -141.25 142.04 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.14 109.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.77 -37.28 15.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.4 m -150.06 133.93 16.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -119.3 121.57 39.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -111.34 -172.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.26 42.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.91 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -146.34 166.72 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.08 172.33 22.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -130.46 143.45 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.1 mt -115.11 136.72 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.71 121.11 41.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -74.2 161.81 29.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.56 -29.05 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -80.17 -24.14 40.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 60.81 40.99 15.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -118.65 -35.84 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 141.24 51.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -107.2 165.16 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.2 mm -115.05 145.61 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -115.82 115.02 25.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -131.53 134.13 45.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.13 153.38 24.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -57.99 -50.28 73.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -31.43 58.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.37 -27.0 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -79.85 108.74 13.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -88.61 100.26 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.08 -158.73 28.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -85.65 60.43 6.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.57 -27.19 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.71 -32.93 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 36.99 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt -90.09 163.48 14.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -138.9 167.53 21.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.2 mt -80.58 129.5 34.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.23 -21.95 30.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.62 134.0 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtm -72.0 150.66 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.37 145.37 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.44 140.75 37.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -155.39 177.52 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.14 166.93 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.6 mt -121.33 142.14 50.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.6 p -60.54 175.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -89.85 135.43 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.73 -151.81 17.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.477 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -147.41 125.29 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.69 -173.03 13.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.529 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.35 112.5 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 tptm 61.09 99.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.4 t -91.34 146.79 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 p -103.7 158.21 16.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.0 143.07 26.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -123.97 131.79 53.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 59.79 69.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.18 142.93 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -144.89 136.35 25.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.78 125.52 24.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.8 t -119.25 142.88 47.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -126.25 -48.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.32 -174.88 36.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -28.16 25.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.8 p -66.47 -174.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.47 142.75 20.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.08 98.13 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.76 147.13 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.67 55.6 0.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -60.53 116.77 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.816 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -126.64 162.47 25.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.21 142.71 3.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -97.22 101.76 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.1 130.07 42.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.54 152.4 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.66 -161.34 27.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 56.46 34.08 23.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.337 . . . . 0.0 110.91 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.4 -51.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.47 34.43 15.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.64 122.82 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.54 -40.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.18 95.18 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -111.59 136.28 51.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -123.37 153.47 40.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.9 mt -121.3 156.21 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.53 -163.51 13.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -140.16 131.89 27.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.4 t -53.78 105.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.75 -46.45 14.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.9 m -142.46 133.17 25.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.8 112.25 17.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -105.69 -178.28 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.58 46.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.27 -44.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -144.0 164.59 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.25 178.18 18.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -136.88 139.72 41.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.6 mt -112.95 128.44 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -100.56 119.33 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 p -68.84 172.87 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.83 -36.07 78.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -71.93 -24.07 61.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.9 m80 57.98 37.15 26.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.33 -26.74 7.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.62 151.58 42.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -117.0 155.03 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.3 mm -113.87 147.05 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -119.06 109.17 15.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -124.73 131.98 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.48 148.28 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.54 -44.89 73.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.8 p -58.22 -29.62 65.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -77.18 -26.57 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -77.47 119.2 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 t -98.56 93.8 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.97 -147.12 14.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -101.65 71.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.827 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.97 -28.96 44.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.86 -32.27 67.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -78.51 -27.24 46.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.32 159.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -142.68 -174.75 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 mt -84.67 126.61 33.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.81 -27.48 16.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.466 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.92 161.74 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.319 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.3 mtm -99.05 156.38 16.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 m -149.08 160.42 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.68 131.81 55.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -154.85 -179.41 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 p -141.25 164.58 29.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.5 mt -132.38 109.7 10.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.87 133.69 35.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 tttp 61.3 94.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.95 -42.69 59.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -60.06 127.65 32.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 142.64 -139.74 9.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -153.07 -51.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.98 92.23 7.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -110.28 136.23 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.9 163.52 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -94.64 128.35 41.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.58 132.51 52.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm 57.37 74.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.17 142.65 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -149.12 147.93 29.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.53 134.44 45.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 t -119.72 -32.45 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.5 t 58.03 -176.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -95.56 -171.87 36.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 166.93 25.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.304 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.4 t -126.89 110.1 12.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m 62.43 32.45 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 m -153.25 172.52 16.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.65 179.13 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.69 -157.2 23.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -131.22 -177.25 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.868 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -147.27 -69.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.04 83.63 1.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.23 105.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mp -99.99 122.55 43.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.36 173.93 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.84 149.77 21.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -136.06 71.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -158.16 99.93 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.19 136.86 43.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -77.99 77.1 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -67.42 164.44 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.88 159.56 44.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -124.28 147.97 47.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -142.51 165.16 28.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.2 mt -128.86 160.72 31.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.43 -158.53 9.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -142.49 132.11 23.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.5 t -58.34 104.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.71 -51.16 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.2 m -142.97 135.52 27.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -123.93 109.68 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -97.25 -171.23 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -97.38 45.07 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -177.21 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -148.02 161.9 40.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.04 179.02 17.53 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -137.56 147.48 45.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -118.55 126.82 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -94.84 135.24 36.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -79.23 165.15 23.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.29 -33.88 69.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -77.34 -24.15 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 61.77 32.54 18.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -104.53 -28.03 11.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.21 176.29 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -135.2 163.98 28.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.8 mm -126.9 146.53 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -124.0 117.25 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -133.74 135.26 43.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.1 153.58 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -57.35 -36.32 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.9 p -66.3 -27.85 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -75.79 -26.67 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -80.12 130.11 34.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.43 105.27 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.78 -146.47 17.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -96.89 79.0 2.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.44 -25.55 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -71.35 -35.32 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.97 -28.71 62.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.17 152.11 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -139.45 -173.64 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.7 mt -83.21 122.55 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.18 -32.51 6.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.17 148.28 11.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.4 mtm -84.13 152.95 24.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.0 m -146.97 152.13 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.13 129.14 46.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -153.46 179.24 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.5 m -151.61 169.59 21.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.0 mt -126.57 144.27 50.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 p -71.13 -171.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.69 143.45 42.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.76 -154.15 16.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.31 46.49 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 108.14 3.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m120 61.21 179.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 163.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.2 t -90.1 140.31 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 p -143.58 159.36 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.54 160.59 14.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -138.9 137.28 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.8 mttt 52.84 62.23 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.6 t -81.93 146.42 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -150.75 135.99 17.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 145.26 31.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 t -130.94 160.74 33.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.86 -44.6 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.02 171.49 36.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 117.32 5.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 m -163.44 123.46 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.67 125.38 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -81.58 179.4 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.95 143.18 28.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.14 -84.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 57.19 65.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -43.49 60.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.22 62.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.79 173.61 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.2 176.25 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -135.17 65.22 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.87 61.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -84.98 176.66 8.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -171.42 98.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.18 122.46 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.39 50.48 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 m -129.52 137.18 50.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -160.13 89.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.89 135.15 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.1 mt -135.96 157.6 46.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.9 mt -122.56 149.67 43.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.95 179.1 24.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -123.05 128.82 50.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.7 100.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.52 -43.13 50.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.3 m -152.96 142.53 21.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -127.5 119.08 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -102.91 -173.62 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -96.17 38.32 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.64 -46.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -146.58 145.31 30.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.9 173.81 17.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -130.56 142.23 50.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.4 mt -117.78 136.08 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -100.8 132.01 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.9 p -77.61 153.85 32.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.49 69.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -71.41 -24.17 62.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 62.84 81.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -160.12 -41.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.91 143.55 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.34 170.1 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.9 mm -122.22 148.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -121.74 113.82 20.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -127.16 132.47 50.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -81.55 146.02 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -54.19 -38.77 65.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -64.89 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.61 -26.71 50.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -77.0 140.95 40.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.14 99.59 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.04 50.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 62.61 90.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.9 p -89.47 -27.91 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -75.44 -30.31 59.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t -73.17 -27.54 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -53.38 161.61 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.1 177.12 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.18 128.66 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.88 -25.09 28.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.65 148.24 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.338 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.2 mtm -90.55 143.59 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.26 165.98 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -122.37 138.56 54.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -153.33 172.95 16.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p -128.1 171.9 11.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.3 mt -129.88 152.58 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.05 134.64 14.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.1 146.65 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.62 -159.13 31.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 104.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.58 132.71 3.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -79.04 -47.98 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -60.23 165.72 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.65 132.83 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.09 165.69 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.11 167.62 11.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.94 141.1 18.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt 57.21 39.88 28.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.94 141.43 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -153.37 136.62 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.46 152.4 18.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -146.77 150.72 35.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.9 m -85.55 91.78 8.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.17 -179.31 45.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 124.34 11.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.55 -65.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.0 t -87.76 115.0 24.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.4 94.97 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.831 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -103.67 158.75 16.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.795 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.38 171.91 23.65 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -129.76 103.48 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.32 175.82 8.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.93 -148.6 19.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.71 150.98 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.03 -36.83 7.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.6 mt 57.94 179.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.86 -131.47 0.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -133.48 96.01 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.365 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -82.33 117.54 22.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 t -95.54 105.04 16.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.67 150.68 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.37 34.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.22 155.06 18.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.74 133.01 21.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.7 mt -144.91 148.18 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.0 mt -111.15 173.86 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.38 -157.05 13.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -144.51 128.21 17.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.93 104.89 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.67 -53.68 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -144.11 139.38 28.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -120.62 101.92 8.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -85.59 -174.35 5.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.85 38.5 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -167.23 -43.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -150.32 148.2 28.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.75 169.98 13.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -126.11 152.49 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.0 mt -132.49 118.07 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.72 120.69 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.2 p -60.23 168.13 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.29 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -78.44 -24.09 46.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 62.27 33.67 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.71 -34.79 8.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.22 149.64 47.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.58 157.36 17.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.6 mm -116.77 148.47 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -127.73 114.82 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -126.79 141.1 51.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.28 154.27 19.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.49 -39.62 88.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.51 -27.97 68.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.22 -26.47 52.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -77.68 128.85 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.16 114.15 27.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.37 -119.23 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.46 90.32 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.2 p -82.28 -27.67 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -38.88 67.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -27.17 62.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.47 158.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -136.99 -174.69 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -86.39 125.22 33.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.66 -28.03 16.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.466 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.86 150.56 7.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.323 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.9 mtm -86.35 148.49 25.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 m -148.13 158.89 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -110.26 141.25 43.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -160.45 168.42 25.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -132.99 169.34 16.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.0 mt -120.69 149.21 42.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.9 t -102.96 154.64 19.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -81.9 147.4 29.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.95 179.14 27.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.426 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.02 115.43 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 145.79 129.08 2.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.18 169.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -63.59 161.91 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.4 t -86.75 141.86 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.29 166.36 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.97 169.93 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -151.95 142.77 22.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 55.42 44.95 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.78 136.89 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -140.81 148.71 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.32 132.42 43.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.2 t -129.5 39.4 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.31 81.74 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 169.96 172.09 36.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -36.63 10.54 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.49 125.07 28.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.1 p -128.73 34.41 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.495 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.8 -171.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 53.01 41.35 32.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 141.7 25.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 m -78.17 158.22 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -83.39 169.64 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.47 100.88 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -154.01 55.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.33 30.0 17.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.0 tp -55.85 -45.28 78.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.85 37.19 10.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -129.82 -55.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 54.2 35.6 22.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m 60.05 92.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -92.93 108.26 19.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 t -82.17 -58.97 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.15 -47.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 57.59 88.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.2 mt -121.8 131.44 54.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.39 153.65 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.2 -173.77 22.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -131.25 133.92 45.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.2 t -52.77 122.01 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.8 -40.49 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.8 m -156.3 128.92 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.96 104.57 11.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -93.68 -172.88 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -95.63 41.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -174.48 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -153.4 168.79 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -144.48 176.65 23.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.533 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -130.08 149.36 51.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -118.35 137.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.05 137.74 35.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.7 p -84.16 165.21 18.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.0 -31.78 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -86.82 -24.15 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 60.49 47.91 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.09 -26.99 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -123.71 160.5 27.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.04 151.21 28.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.2 mm -116.42 148.23 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -129.48 120.58 25.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -133.24 135.94 45.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.58 145.52 31.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -56.43 -32.96 65.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.0 t -70.78 -27.17 63.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.88 -27.0 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -76.75 129.92 36.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -110.65 108.68 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 142.72 -134.33 5.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -110.06 82.32 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.51 -26.5 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.24 -31.39 60.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.2 p -77.93 -27.37 49.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.46 157.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.41 -179.94 6.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.6 mt -77.45 124.42 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.59 -24.4 19.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.51 159.37 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.7 mtm -99.83 149.38 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 m -144.91 146.86 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -100.12 132.81 45.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -150.77 175.19 12.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 m -135.52 165.94 24.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.4 mt -130.44 154.13 48.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.9 m -119.15 92.48 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 -176.56 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.6 62.21 0.5 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.446 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.21 98.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 160.73 122.84 0.65 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.488 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -81.15 -177.5 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tptt 61.81 93.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 p -90.46 136.92 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.27 156.32 42.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.04 138.78 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -121.38 141.17 51.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm 52.63 63.17 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.0 t -81.92 141.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -152.22 132.49 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 137.78 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 t -118.54 -31.01 5.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.3 m 55.51 72.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.44 -166.94 12.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.98 51.39 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -76.44 -66.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 m -113.22 -73.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.42 167.54 29.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.54 162.15 40.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.78 -108.62 0.64 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m 53.21 29.84 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -77.93 -34.91 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.29 138.19 4.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -132.47 65.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 53.02 80.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.94 138.56 57.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.02 -162.29 14.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -95.06 -34.21 12.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m120 54.46 90.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 m -111.53 66.03 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -156.18 27.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -124.92 102.0 7.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.29 155.76 16.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.46 148.75 29.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -130.86 155.28 47.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.5 mt -107.22 171.54 7.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.978 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.94 -178.28 41.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -133.47 138.53 46.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.958 0.408 . . . . 0.0 110.917 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.58 111.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.82 -36.8 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 m -147.4 136.49 22.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -127.43 99.77 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -95.2 174.9 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -88.76 50.47 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -178.6 -42.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -150.12 149.16 29.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.86 -176.92 21.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -143.13 138.0 29.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.8 mt -123.28 129.68 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.64 129.32 45.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.8 p -70.22 166.39 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.83 -29.09 69.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -75.22 -24.08 57.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 59.76 39.44 20.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.71 -33.16 5.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.33 156.61 42.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.12 150.52 33.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.1 mm -105.41 147.39 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -124.99 112.48 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -125.22 136.01 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -85.2 151.11 24.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -56.88 -27.06 60.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -33.28 65.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -74.61 -26.27 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.28 138.86 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -116.28 100.44 7.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.68 -147.52 18.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -99.05 75.63 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.19 -27.14 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -36.07 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -27.03 65.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.99 160.04 3.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -150.12 179.46 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.8 mt -76.36 118.95 19.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.93 16.14 11.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -105.85 151.49 24.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.773 0.32 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtm -90.16 150.67 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.3 m -150.31 153.9 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -110.34 138.43 46.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -152.16 175.77 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.03 166.48 24.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.0 mt -117.59 153.82 32.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -114.71 79.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt 53.52 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.96 94.58 1.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -154.4 62.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -150.75 -117.55 0.8 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -115.71 -44.66 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -134.6 149.11 50.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.2 t -119.63 138.81 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 p -122.72 173.5 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.21 153.33 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.44 140.16 37.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt 61.24 50.47 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.9 t -79.18 130.24 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -142.06 142.3 32.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.37 153.91 14.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 t -152.22 40.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.6 m -73.61 114.05 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 148.6 168.85 14.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.65 34.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.4 m 61.29 86.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.06 89.11 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 t 62.63 164.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.393 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.18 152.78 22.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.75 56.46 0.76 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.21 147.58 50.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -82.76 143.18 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.59 172.68 38.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 60.31 94.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -55.89 150.11 13.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mp -104.91 108.12 19.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.34 -20.01 16.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 55.11 51.66 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -156.57 29.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -40.12 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -96.24 43.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.83 159.3 32.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.57 146.71 16.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -110.96 77.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.2 mt -107.01 134.28 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.4 mt -102.84 164.24 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.76 -164.77 20.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.45 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -144.53 140.12 28.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.44 125.18 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.69 -33.22 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -152.53 136.32 16.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mt -123.83 99.6 6.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -96.99 178.43 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.19 45.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -173.21 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -152.95 165.56 35.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.7 177.42 18.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -135.32 147.53 49.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.28 127.06 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -94.72 148.55 22.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -96.15 164.04 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.53 -29.38 58.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -83.58 -24.16 31.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 59.79 41.62 17.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -111.97 -29.49 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -133.17 142.57 48.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -104.81 160.22 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mm -112.52 148.46 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -121.93 115.73 23.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -130.65 137.73 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.78 153.96 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -59.9 -30.27 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -29.48 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -77.34 -26.35 51.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -79.99 123.15 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.4 t -106.45 93.05 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.88 -152.32 22.94 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.33 68.87 9.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.33 -27.54 37.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -77.05 -28.35 54.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.75 27.81 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -89.9 162.39 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -140.16 174.29 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 mt -84.97 136.71 33.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.3 16.14 57.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.44 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.72 160.07 14.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.764 0.316 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.7 mtm -98.78 144.51 27.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.5 m -148.54 168.47 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.95 140.09 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -157.35 177.28 11.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 m -149.06 160.56 43.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.2 mt -107.78 121.8 45.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 t -59.6 119.89 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.61 123.82 32.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 142.9 -47.96 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -96.56 119.55 35.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.47 32.43 7.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.513 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -111.77 -59.3 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -119.78 120.76 37.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.8 t -102.38 126.54 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.26 171.06 15.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.59 148.27 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -129.6 131.84 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt 55.34 67.21 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.3 t -83.12 143.01 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -142.13 150.62 41.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.1 153.3 43.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -155.93 146.85 22.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 p -172.45 -68.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -176.75 173.82 46.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 156.87 62.19 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.292 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.4 t -71.17 117.91 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 167.71 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m -92.95 56.55 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t -110.66 104.78 13.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.64 121.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.63 -178.59 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -115.6 71.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.94 70.9 1.26 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -168.6 98.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.48 174.52 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -30.76 70.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.17 168.78 19.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.533 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -140.7 -45.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -78.82 135.18 36.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m -83.06 -67.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 t30 58.31 39.49 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -106.66 153.57 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -140.98 160.57 39.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -82.39 128.33 34.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mt -117.13 146.09 43.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 mt -110.74 174.57 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.22 -179.13 42.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -134.46 125.5 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 110.942 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.9 t -52.61 111.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.7 -38.61 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -150.08 139.82 21.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.39 105.02 9.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -91.78 -172.16 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -100.56 40.97 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.48 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -151.98 150.28 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.82 176.21 17.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -131.93 142.98 49.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -120.46 129.3 75.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -101.41 120.86 40.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.8 p -67.08 167.91 11.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.25 -26.58 68.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -80.68 -24.16 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 62.63 41.4 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -114.8 -42.07 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -126.21 145.27 50.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -108.67 167.72 9.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 mm -116.62 145.88 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -117.07 109.17 16.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -120.32 138.0 53.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.48 144.42 27.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -53.89 -32.08 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -34.12 73.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -74.77 -26.37 59.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -76.41 139.49 40.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.57 108.64 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.05 -169.38 22.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.4 81.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.11 -31.87 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.1 -27.99 63.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 p -78.1 -27.15 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -52.63 154.43 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -142.62 -174.49 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.93 126.35 31.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.47 16.11 25.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.9 141.31 36.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.5 mtm -80.69 141.7 34.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.33 156.01 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -106.39 149.26 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -165.07 179.16 6.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p -149.41 170.7 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.0 mt -128.99 142.62 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.21 147.68 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 61.75 170.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.68 -70.46 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 124.41 20.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 155.81 -162.96 31.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -138.29 45.14 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -173.22 119.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -140.46 142.45 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.45 178.72 8.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.24 167.76 12.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.77 134.58 16.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 57.25 51.55 10.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.2 t -72.16 134.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -147.41 142.26 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 135.56 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.6 t -132.92 135.11 45.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 99.1 p -163.96 41.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.03 168.21 40.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 114.68 3.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.232 . . . . 0.0 112.284 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.56 146.33 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -34.59 17.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -168.02 83.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -156.79 174.23 15.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.47 40.48 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.84 99.04 8.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.93 133.22 35.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.42 -51.32 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -153.54 113.96 3.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.33 147.68 52.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.74 86.47 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.27 -22.81 6.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.47 39.51 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 57.22 82.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -97.34 58.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.02 163.23 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.9 p -137.84 140.18 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.58 125.26 51.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.97 125.26 26.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 mt -100.94 174.51 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.4 mt -130.5 165.89 21.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.92 -174.78 38.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -130.23 141.88 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.2 t -60.87 112.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.63 -42.95 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -157.3 124.09 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mt -111.08 115.15 28.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -102.41 -173.45 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.14 37.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.41 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -135.21 164.84 26.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.6 174.93 21.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -136.59 144.53 44.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.842 0.353 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.1 mt -117.96 125.11 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -87.6 119.32 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 p -61.65 169.39 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.32 -31.2 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -84.51 -24.15 29.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.8 m80 62.47 48.7 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -116.23 -28.15 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -121.1 177.91 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -134.56 124.07 24.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 mm -85.31 147.42 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -124.88 111.6 15.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -126.68 135.93 51.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -85.24 145.46 27.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -52.83 -45.69 67.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -29.35 68.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -75.77 -26.31 57.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -76.61 135.9 39.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.31 97.98 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.74 49.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 54.63 75.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.1 p -69.72 -26.4 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -28.21 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 m -79.86 -27.8 40.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -52.43 159.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -159.41 153.01 22.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.68 126.4 23.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.39 16.05 14.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -117.1 150.78 38.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.9 mtm -84.83 146.59 27.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 m -139.6 151.1 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -110.74 130.09 55.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -149.42 173.24 13.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -139.12 172.99 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.0 mt -130.61 137.45 49.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -169.45 -172.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.53 93.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.96 149.47 22.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -131.42 63.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.64 -139.27 2.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -95.53 172.69 7.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.4 mttt 59.42 74.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -111.32 143.06 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.44 175.31 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.93 165.5 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -139.77 128.6 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp 54.01 68.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.53 137.67 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -149.61 141.16 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.41 161.21 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -156.76 156.37 33.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.15 126.65 28.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.65 168.72 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -24.23 30.0 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.68 125.02 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -108.08 131.32 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -139.62 138.18 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 m -90.57 169.89 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.1 110.22 2.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -34.71 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -172.34 101.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.3 108.39 0.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.88 164.9 7.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.78 141.07 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.61 109.76 16.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.21 -149.44 4.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.82 26.85 16.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -133.4 147.01 51.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.4 t -131.19 43.38 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -63.86 174.71 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m 54.27 31.01 13.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -135.09 70.81 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -83.89 130.2 34.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 mt -114.54 143.55 44.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mt -105.56 158.11 16.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.95 179.76 37.1 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -131.37 138.05 48.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.85 109.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.78 -45.85 16.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 m -145.92 143.59 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -126.02 101.21 6.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -89.95 -172.14 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.3 43.82 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -176.42 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -155.95 150.41 25.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.77 -174.28 19.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -137.1 150.43 47.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.0 mt -125.6 120.34 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.75 130.07 35.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.8 p -74.29 161.56 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.95 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.34 -24.12 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 63.19 73.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.91 -47.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.37 145.08 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -107.6 156.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.1 mm -102.51 147.85 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -111.55 118.19 35.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -131.05 138.72 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.07 152.09 21.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -57.86 -35.7 71.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.8 m -66.86 -31.43 72.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.04 -26.88 59.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -79.56 139.51 37.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.16 102.21 8.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.19 -151.18 23.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -91.13 71.38 6.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.3 p -74.08 -25.62 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.68 -27.49 61.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.11 27.99 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 mt -79.13 157.7 27.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.63 160.07 34.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.16 144.31 44.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.66 16.08 74.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.1 150.17 22.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.79 0.328 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.5 mtm -86.69 137.32 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 m -142.19 155.77 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -114.34 142.63 46.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -161.68 170.76 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -119.25 172.69 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.2 mt -130.75 124.99 32.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.31 167.33 18.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.95 139.39 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.83 -75.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 -39.9 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.334 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.62 -35.27 4.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -66.09 -38.96 89.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.13 159.35 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.9 t -112.1 133.81 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.75 170.05 10.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -102.05 157.64 16.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.37 127.27 29.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? 59.65 72.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.0 t -90.73 145.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.41 149.69 28.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -68.06 143.65 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 t -140.38 38.58 1.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.21 164.98 17.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.89 171.81 55.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -23.83 30.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.9 126.5 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -55.21 121.57 9.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.446 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.54 163.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -138.28 -43.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.18 178.45 26.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.84 -174.11 3.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -160.94 157.6 26.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.8 -85.7 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.31 -175.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -168.3 129.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.88 143.61 46.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.87 104.96 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.2 -47.16 65.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.54 98.23 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.2 154.75 30.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -148.08 129.79 15.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -68.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -176.03 129.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -101.93 83.3 2.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mt -90.66 150.47 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mt -105.0 171.64 7.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.27 -175.21 37.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.45 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -137.09 128.19 27.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.3 119.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.09 -30.93 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 m -154.36 132.15 11.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 mt -125.18 104.31 8.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -99.7 -173.33 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -98.2 46.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -176.7 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -152.57 165.2 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.76 177.46 18.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -131.8 150.31 52.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.7 mt -130.05 112.17 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.65 123.19 31.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.1 p -67.87 165.85 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.48 -26.64 65.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.068 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -80.66 -24.2 39.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.9 m80 59.46 31.86 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -108.33 -29.11 9.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -127.3 139.91 52.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -100.74 160.24 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.0 mm -121.46 147.63 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -127.0 112.92 15.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -124.83 140.26 53.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.24 152.22 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -58.14 -42.11 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -31.78 69.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -75.92 -26.7 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -77.47 121.11 23.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.9 102.0 11.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.27 -133.77 4.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.08 87.46 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.46 -27.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.94 -43.24 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -62.79 -26.88 68.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mt -52.3 154.32 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -148.45 156.95 43.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.88 122.28 14.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.31 16.08 14.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -108.18 167.37 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.1 mtm -99.57 146.5 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.8 m -149.77 142.99 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.53 143.07 31.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -153.48 179.77 8.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.51 159.77 40.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.8 mt -108.9 155.26 21.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.88 155.71 27.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -104.88 152.33 22.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -166.4 -104.69 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -145.37 29.49 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.27 -140.62 14.96 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 59.27 -174.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.09 167.85 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.5 t -132.16 131.24 61.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.08 154.69 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.56 141.81 28.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.4 143.24 49.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 53.45 68.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.62 147.74 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.42 149.05 18.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.19 165.72 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 t -162.8 155.75 19.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.86 179.92 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.85 168.27 16.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 101.29 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.262 . . . . 0.0 112.308 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.31 132.16 2.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -89.76 92.39 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.2 mt -144.17 166.31 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.5 mt -129.86 164.87 23.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.43 -172.7 31.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.85 128.18 32.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 26' ' ' LEU . 71.3 t -53.36 107.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.47 -42.73 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.3 m -152.08 144.08 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' CD1' HG11 ' A' ' 23' ' ' VAL . 5.2 mt -126.75 115.12 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 -174.64 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -98.06 48.76 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -178.35 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -153.14 164.76 37.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.67 168.63 23.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -124.0 155.27 38.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -127.96 130.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.36 117.4 30.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.2 p -62.8 -175.65 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.26 -27.36 59.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.96 -24.1 41.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 m80 63.05 33.38 14.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.1 -27.93 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 170.8 10.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -137.03 144.93 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.675 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.7 mm -98.71 147.88 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -114.8 120.48 40.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -135.64 133.45 38.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -85.7 154.05 21.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -59.5 -28.52 67.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.36 -28.63 62.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.6 -26.6 45.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -79.2 126.09 30.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.24 95.31 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.46 -123.42 1.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.61 64.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.05 -26.82 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.22 -28.01 59.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.7 m -83.82 -27.34 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.8 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 mt -52.67 153.04 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -138.24 -174.1 3.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -84.38 119.09 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.84 -23.71 16.49 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.01 157.33 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.3 mtm -96.6 150.99 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.9 m -144.84 165.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -115.19 133.76 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -150.09 179.85 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -149.35 166.28 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.9 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.675 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -90.29 171.03 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -151.14 141.21 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.0 mttt 53.46 50.4 17.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.4 t -73.2 145.16 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.07 144.94 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -64.32 149.28 48.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.2 mmm-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mt -120.56 152.03 38.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.614 ' CD2' HG21 ' A' ' 82' ' ' THR . 24.9 mt -100.77 167.54 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.8 174.51 39.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -132.2 133.33 44.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.901 0.381 . . . . 0.0 110.964 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 t -58.03 117.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.36 -37.91 10.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.1 m -154.02 145.95 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 56' ' ' LEU . 7.3 mt -127.26 129.18 47.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -119.14 -175.62 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -97.77 40.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -171.06 -39.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -151.46 153.18 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.57 -179.97 20.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -135.87 132.44 36.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -118.96 134.05 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.24 160.7 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 p -103.66 167.3 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.21 -25.57 59.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -91.05 -24.2 20.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.1 m80 59.46 39.61 21.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -104.44 -28.23 11.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -135.64 142.31 45.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -97.58 156.64 16.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.723 HG21 ' HB2' ' A' ' 76' ' ' ALA . 30.1 mm -111.85 146.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -123.06 110.92 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -122.72 141.71 51.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.821 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.18 151.84 23.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.02 -28.18 67.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.56 -30.43 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.11 -26.96 59.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -77.48 127.84 33.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 102.43 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.28 -141.75 10.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.51 87.45 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 p -86.43 -26.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.78 -27.09 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.44 32.28 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.582 ' HB3' HD11 ' A' ' 26' ' ' LEU . 7.1 mt -87.11 162.91 17.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -134.74 175.9 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.79 118.58 29.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.4 -20.75 27.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.89 147.57 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.2 mtm -86.35 141.93 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.04 172.73 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -130.69 126.37 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -138.72 176.16 8.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -138.19 167.19 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 65' ' ' SER . 64.7 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.723 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -91.02 158.78 16.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -143.82 137.19 27.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 57.01 68.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.88 141.79 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -149.42 139.01 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 144.2 56.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.614 HG21 ' CD2' ' A' ' 20' ' ' LEU . 7.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 mt -117.2 155.76 28.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 82' ' ' THR . 10.4 mt -120.48 156.72 30.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.37 -166.08 16.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -137.19 128.54 28.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.537 HG11 ' CD1' ' A' ' 26' ' ' LEU . 39.5 t -53.12 117.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.95 -42.07 10.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -154.07 141.05 19.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.537 ' CD1' HG11 ' A' ' 23' ' ' VAL . 3.1 mt -125.38 107.55 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -92.05 -170.37 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -97.12 40.65 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.47 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -148.86 165.07 32.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.69 -179.87 16.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -134.28 152.72 51.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.9 mt -123.16 138.29 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -105.69 114.21 28.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.2 p -63.39 166.16 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.61 74.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -71.98 -24.12 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 63.21 35.69 12.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.54 -31.36 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -124.08 159.67 29.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -126.31 171.87 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.714 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.0 mm -127.03 149.8 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -117.46 125.19 50.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.447 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 36.3 p90 -138.57 141.26 39.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.36 148.89 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -53.81 -38.72 64.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -65.91 -29.93 70.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.52 -27.98 58.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.38 122.55 25.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.3 t -102.61 112.47 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.17 -137.96 9.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.27 85.98 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.59 -25.59 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.06 -45.49 33.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -58.72 -27.47 64.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.84 157.68 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -145.36 -173.87 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.9 mt -79.9 120.55 24.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.65 -27.81 11.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.19 154.32 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.1 mtm -94.58 147.04 23.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.7 m -145.16 145.42 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.33 137.84 39.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -154.86 174.19 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -137.57 172.59 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' SER . 26.6 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.714 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -89.15 154.61 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -137.41 127.77 26.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp 59.51 64.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.39 140.68 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -146.78 141.45 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 151.86 26.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.607 HG21 HD21 ' A' ' 20' ' ' LEU . 10.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.5 mt -139.03 124.96 19.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.702 HD23 ' HG2' ' A' ' 61' ' ' MET . 7.5 mp -95.17 159.83 14.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.76 -162.84 10.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -138.23 128.46 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.4 t -57.82 100.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . . . -70.57 -57.52 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -138.95 146.0 40.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mt -127.55 109.76 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -100.91 -175.67 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -96.1 42.11 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.03 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -143.4 161.45 38.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.68 -179.49 16.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -138.23 161.38 37.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.5 mt -135.66 116.32 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 3.6 tt0 -86.95 123.51 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -66.87 149.65 50.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.02 -37.98 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.44 -24.19 62.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.0 t-80 62.94 98.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -175.85 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.85 142.13 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.51 159.93 15.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.3 mm -119.89 149.67 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -126.34 115.37 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -130.78 133.71 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -80.12 152.13 29.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -60.09 -38.39 82.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -31.96 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -74.31 -26.69 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -76.76 145.01 38.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.62 100.2 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.55 -166.56 26.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.95 72.58 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.23 -26.99 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -75.2 -29.21 60.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 p -97.05 29.67 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' A' ' 81' ' ' LYS . 6.9 mt -86.63 163.05 17.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -132.38 159.19 39.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.5 mt -76.0 124.27 27.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.93 -21.3 25.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.54 143.28 50.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.702 ' HG2' HD23 ' A' ' 20' ' ' LEU . 1.2 mtm -80.34 137.66 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.5 m -134.68 138.94 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.63 133.17 45.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -147.89 178.77 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -133.61 162.19 32.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -100.2 165.79 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.56 137.24 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm 52.95 76.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 t -93.7 148.3 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -163.47 134.11 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' A' ' 56' ' ' LEU . 18.9 mtpt -53.03 159.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.558 HG21 ' HG ' ' A' ' 20' ' ' LEU . 6.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -126.74 163.09 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -135.31 152.17 51.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.22 -155.92 7.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -145.91 133.64 21.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 60' ' ' ASP . 39.4 t -62.98 101.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.88 -52.17 6.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -131.5 135.41 47.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.31 113.02 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -107.69 -178.7 3.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -92.19 47.91 1.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.91 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -155.12 168.31 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.52 -170.19 12.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.537 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -145.42 140.14 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.5 mt -118.9 120.29 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -95.71 118.86 33.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.5 p -63.87 167.75 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.14 -31.43 67.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.42 -24.1 61.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 61.51 31.73 18.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.16 -32.87 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 151.96 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -122.15 161.04 23.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.759 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.9 mm -114.35 143.13 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -111.53 119.01 37.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 35.7 p90 -131.74 134.75 46.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.33 151.78 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -54.35 -31.79 55.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -32.79 70.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -74.47 -26.35 59.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -77.34 119.33 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.11 101.24 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.19 -134.88 6.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -102.46 96.4 6.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 p -90.17 -27.13 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -78.32 -33.22 49.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.2 t -73.09 -27.44 61.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.14 152.19 3.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.48 -176.3 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.7 mt -81.63 120.88 25.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.55 -24.77 23.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.534 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -57.0 145.69 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.847 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.5 mtm -86.68 154.88 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -145.76 159.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -115.17 130.68 56.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -149.9 173.89 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 m -139.32 163.67 31.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.9 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.759 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -101.5 159.66 15.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.7 126.37 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.27 59.83 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.27 147.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -155.48 141.56 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 150.0 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.7 mt -145.32 156.66 43.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.836 HD21 HG21 ' A' ' 82' ' ' THR . 9.2 mt -115.43 169.85 8.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.56 -169.42 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -140.4 131.68 26.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.938 0.399 . . . . 0.0 110.903 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 t -58.67 104.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.42 -49.05 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -142.95 133.43 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.3 mt -119.95 104.35 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -95.44 -170.14 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -101.08 47.47 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.836 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -178.82 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -144.49 166.8 24.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.99 172.78 22.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.92 145.56 51.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.501 HG21 ' CE2' ' A' ' 64' ' ' TYR . 68.4 mt -123.65 122.54 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.62 126.29 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.2 p -66.03 168.82 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.92 71.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -84.51 -24.14 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 62.17 50.96 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -115.57 -26.74 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -134.24 140.66 46.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.48 154.57 17.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.9 mm -117.65 144.69 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -122.82 112.66 18.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -123.72 135.06 53.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.21 146.08 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.63 -30.15 60.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -29.05 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.31 -26.38 58.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -76.55 120.87 22.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -103.94 92.47 4.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.24 -133.94 3.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -106.17 90.77 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -81.82 -28.29 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -74.78 -35.52 62.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.5 m -72.23 -28.96 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 26' ' ' LEU . 5.3 mt -52.2 156.58 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -142.71 174.61 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.33 124.98 25.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.0 -22.72 35.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.95 145.3 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.1 149.15 26.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 m -151.92 145.18 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.94 133.94 48.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.501 ' CE2' HG21 ' A' ' 33' ' ' ILE . 51.2 p90 -150.31 174.7 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.08 168.48 12.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.01 163.56 13.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -141.12 128.47 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.19 65.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.6 t -82.01 143.63 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -147.11 156.28 42.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.86 134.86 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.836 HG21 HD21 ' A' ' 20' ' ' LEU . 12.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.2 mt -124.43 157.88 34.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mt -118.83 161.7 19.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.95 -166.77 22.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -141.22 131.8 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.88 106.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.0 -43.68 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.8 m -152.65 137.84 17.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -118.47 108.81 15.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -91.84 -172.61 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.09 41.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -174.96 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -149.35 147.85 28.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.43 170.77 13.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -125.99 143.73 50.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.4 mt -126.64 119.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.66 109.94 20.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.9 p -51.8 166.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.57 -31.42 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -76.0 -24.13 55.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.7 m80 62.87 33.62 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -111.82 -26.45 8.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -130.62 151.38 51.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -115.64 143.01 45.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.632 HG21 ' HB2' ' A' ' 76' ' ' ALA . 33.3 mm -97.9 146.31 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -119.64 113.57 20.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -126.4 138.73 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.78 147.39 24.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.41 -30.87 42.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 p -70.36 -32.75 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.36 -26.23 59.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -77.05 126.51 31.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -106.32 100.4 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.16 -151.96 24.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.13 82.6 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.53 -33.0 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.72 -26.51 64.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m -83.53 -27.01 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mt -52.81 146.07 11.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -116.21 -173.24 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.1 mt -95.01 131.34 41.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.49 -20.06 48.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.52 163.91 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.5 mtm -99.67 149.77 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.8 158.11 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.72 139.17 45.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.549 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 47.1 p90 -155.78 174.12 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -141.55 156.21 45.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.8 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.907 0.384 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -107.17 142.38 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.75 130.52 56.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt 58.09 62.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.1 t -76.76 142.92 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -152.87 137.27 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.09 165.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mt -129.51 150.24 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.78 173.75 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.47 -179.52 44.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -133.33 130.9 39.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.16 107.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.75 -41.19 23.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -152.87 144.34 23.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 56' ' ' LEU . 4.0 mt -124.88 99.89 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -90.89 -173.86 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.47 44.11 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.75 -42.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -144.39 169.61 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.62 161.13 24.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -117.9 149.14 41.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -126.27 125.92 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.06 131.69 36.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.2 p -77.34 157.25 30.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.09 -26.28 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.88 -24.16 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.7 m80 62.86 86.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.02 -41.08 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.55 138.52 48.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.81 139.02 36.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.726 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.6 mm -84.54 147.36 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -112.34 117.33 32.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 43.2 p90 -134.67 133.36 39.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -82.38 149.43 27.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -54.41 -47.25 73.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 m -57.01 -31.19 64.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -73.84 -27.44 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -77.46 143.68 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.02 99.52 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.35 52.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.538 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 59.83 94.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -93.92 -29.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -31.16 69.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -79.24 -26.56 42.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.445 ' HB3' HD11 ' A' ' 26' ' ' LEU . 2.8 mt -52.31 149.64 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -143.9 161.52 38.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.3 mt -57.59 128.15 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.3 -24.76 19.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -65.18 151.59 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.5 mtm -92.58 149.87 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.2 m -148.48 159.34 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.51 141.72 47.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.401 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 41.5 p90 -153.38 174.52 14.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 66' ' ' LEU . 15.0 m -137.67 172.27 13.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' SER . 23.9 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.834 0.35 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.726 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -96.75 170.48 9.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.71 130.96 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 mttp 59.92 55.39 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.0 t -75.44 143.35 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -148.13 137.84 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.93 153.52 17.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.85 147.2 27.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.657 HD21 HG21 ' A' ' 82' ' ' THR . 10.2 mt -110.45 157.07 19.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.05 -165.95 18.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -141.25 142.04 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG12 HD23 ' A' ' 58' ' ' LEU . 57.9 t -64.14 109.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . . . -88.77 -37.28 15.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.431 HG22 ' HD3' ' A' ' 27' ' ' LYS . 32.4 m -150.06 133.93 16.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 56' ' ' LEU . 2.7 mt -119.3 121.57 39.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HD3' HG22 ' A' ' 25' ' ' THR . 2.2 mmtp -111.34 -172.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.26 42.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.91 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -146.34 166.72 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.08 172.33 22.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -130.46 143.45 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.1 mt -115.11 136.72 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 0.9 OUTLIER -102.71 121.11 41.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -74.2 161.81 29.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.56 -29.05 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -80.17 -24.14 40.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 60.81 40.99 15.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -118.65 -35.84 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 141.24 51.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -107.2 165.16 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.755 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.2 mm -115.05 145.61 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -115.82 115.02 25.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -131.53 134.13 45.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.13 153.38 24.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -57.99 -50.28 73.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -31.43 58.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.37 -27.0 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.477 ' CZ ' HD11 ' A' ' 56' ' ' LEU . 17.9 t80 -79.85 108.74 13.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -88.61 100.26 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.08 -158.73 28.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -85.65 60.43 6.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.57 -27.19 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.71 -32.93 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 36.99 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.527 ' HB3' HD11 ' A' ' 26' ' ' LEU . 7.0 mt -90.09 163.48 14.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -138.9 167.53 21.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 23' ' ' VAL . 37.2 mt -80.58 129.5 34.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.23 -21.95 30.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.62 134.0 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtm -72.0 150.66 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.37 145.37 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.44 140.75 37.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -155.39 177.52 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.14 166.93 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.882 0.373 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.755 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.0 143.07 26.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -123.97 131.79 53.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 59.79 69.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.18 142.93 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -144.89 136.35 25.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.78 125.52 24.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.657 HG21 HD21 ' A' ' 20' ' ' LEU . 7.8 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -123.37 153.47 40.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 82' ' ' THR . 30.9 mt -121.3 156.21 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.53 -163.51 13.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -140.16 131.89 27.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG11 HD12 ' A' ' 26' ' ' LEU . 59.4 t -53.78 105.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.75 -46.45 14.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.9 m -142.46 133.17 25.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 HG11 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -123.8 112.25 17.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -105.69 -178.28 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.58 46.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.27 -44.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -144.0 164.59 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.25 178.18 18.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -136.88 139.72 41.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.6 mt -112.95 128.44 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -100.56 119.33 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 p -68.84 172.87 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.83 -36.07 78.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -71.93 -24.07 61.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.9 m80 57.98 37.15 26.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.33 -26.74 7.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.62 151.58 42.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -117.0 155.03 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.3 mm -113.87 147.05 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -119.06 109.17 15.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 43.0 p90 -124.73 131.98 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.48 148.28 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.54 -44.89 73.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.8 p -58.22 -29.62 65.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -77.18 -26.57 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -77.47 119.2 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 t -98.56 93.8 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.97 -147.12 14.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -101.65 71.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.827 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.97 -28.96 44.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.86 -32.27 67.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -78.51 -27.24 46.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.32 159.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -142.68 -174.75 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 mt -84.67 126.61 33.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.81 -27.48 16.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.466 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.92 161.74 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.319 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.3 mtm -99.05 156.38 16.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 m -149.08 160.42 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.68 131.81 55.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.42 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 37.0 p90 -154.85 -179.41 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 p -141.25 164.58 29.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 42' ' ' ILE . 79.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.962 0.41 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.777 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -94.64 128.35 41.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.58 132.51 52.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm 57.37 74.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.17 142.65 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -149.12 147.93 29.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.53 134.44 45.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.405 HG21 HD21 ' A' ' 20' ' ' LEU . 11.6 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -142.51 165.16 28.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 82' ' ' THR . 90.2 mt -128.86 160.72 31.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.43 -158.53 9.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -142.49 132.11 23.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.413 HG11 HD12 ' A' ' 26' ' ' LEU . 82.5 t -58.34 104.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . . . -77.71 -51.16 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.2 m -142.97 135.52 27.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD12 HG11 ' A' ' 23' ' ' VAL . 3.5 mt -123.93 109.68 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -97.25 -171.23 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -97.38 45.07 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -177.21 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -148.02 161.9 40.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.04 179.02 17.53 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -137.56 147.48 45.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -118.55 126.82 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.2 tt0 -94.84 135.24 36.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -79.23 165.15 23.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.29 -33.88 69.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -77.34 -24.15 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 61.77 32.54 18.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -104.53 -28.03 11.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.21 176.29 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -135.2 163.98 28.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' A' ' 76' ' ' ALA . 33.8 mm -126.9 146.53 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -124.0 117.25 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -133.74 135.26 43.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.1 153.58 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -57.35 -36.32 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.9 p -66.3 -27.85 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -75.79 -26.67 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -80.12 130.11 34.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.43 105.27 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.78 -146.47 17.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -96.89 79.0 2.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.44 -25.55 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -71.35 -35.32 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.97 -28.71 62.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.17 152.11 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -139.45 -173.64 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.7 mt -83.21 122.55 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.18 -32.51 6.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.17 148.28 11.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.4 mtm -84.13 152.95 24.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.0 m -146.97 152.13 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.13 129.14 46.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -153.46 179.24 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.4 ' O ' HD23 ' A' ' 66' ' ' LEU . 37.5 m -151.61 169.59 21.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 65' ' ' SER . 39.0 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.454 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.54 160.59 14.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -138.9 137.28 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.8 mttt 52.84 62.23 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.6 t -81.93 146.42 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -150.75 135.99 17.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 145.26 31.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.556 HG21 HD22 ' A' ' 20' ' ' LEU . 4.6 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.853 0.358 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.1 mt -135.96 157.6 46.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.9 mt -122.56 149.67 43.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.95 179.1 24.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -123.05 128.82 50.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' A' ' 26' ' ' LEU . 61.8 t -60.7 100.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.52 -43.13 50.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.3 m -152.96 142.53 21.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD1' HG11 ' A' ' 23' ' ' VAL . 5.8 mt -127.5 119.08 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -102.91 -173.62 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -96.17 38.32 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.64 -46.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -146.58 145.31 30.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.9 173.81 17.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -130.56 142.23 50.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.4 mt -117.78 136.08 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -100.8 132.01 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.9 p -77.61 153.85 32.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.49 69.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -71.41 -24.17 62.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 62.84 81.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -160.12 -41.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.91 143.55 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.34 170.1 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.683 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.9 mm -122.22 148.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -121.74 113.82 20.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -127.16 132.47 50.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -81.55 146.02 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -54.19 -38.77 65.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -64.89 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.61 -26.71 50.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -77.0 140.95 40.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.14 99.59 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.04 50.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 62.61 90.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.9 p -89.47 -27.91 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -75.44 -30.31 59.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t -73.17 -27.54 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -53.38 161.61 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.1 177.12 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.18 128.66 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.88 -25.09 28.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.65 148.24 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.338 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.2 mtm -90.55 143.59 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.26 165.98 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -122.37 138.56 54.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -153.33 172.95 16.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p -128.1 171.9 11.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.884 0.373 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.683 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -92.11 167.62 11.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.94 141.1 18.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt 57.21 39.88 28.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.94 141.43 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -153.37 136.62 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.46 152.4 18.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.109 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.7 mt -144.91 148.18 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD21 HG21 ' A' ' 82' ' ' THR . 40.0 mt -111.15 173.86 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.38 -157.05 13.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -144.51 128.21 17.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.93 104.89 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.67 -53.68 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -144.11 139.38 28.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -120.62 101.92 8.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -85.59 -174.35 5.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.85 38.5 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -167.23 -43.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -150.32 148.2 28.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.75 169.98 13.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -126.11 152.49 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.0 mt -132.49 118.07 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.72 120.69 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.2 p -60.23 168.13 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.29 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -78.44 -24.09 46.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 62.27 33.67 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.71 -34.79 8.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.22 149.64 47.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.58 157.36 17.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.6 mm -116.77 148.47 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -127.73 114.82 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -126.79 141.1 51.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.28 154.27 19.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.49 -39.62 88.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.51 -27.97 68.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.22 -26.47 52.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -77.68 128.85 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.16 114.15 27.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.37 -119.23 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.46 90.32 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.2 p -82.28 -27.67 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -38.88 67.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -27.17 62.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.47 158.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -136.99 -174.69 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -86.39 125.22 33.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.66 -28.03 16.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.466 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.86 150.56 7.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.323 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.9 mtm -86.35 148.49 25.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' HD23 ' A' ' 20' ' ' LEU . 11.3 m -148.13 158.89 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -110.26 141.25 43.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -160.45 168.42 25.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -132.99 169.34 16.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.577 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.97 169.93 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -151.95 142.77 22.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 55.42 44.95 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.78 136.89 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -140.81 148.71 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.32 132.42 43.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.469 HG21 HD21 ' A' ' 20' ' ' LEU . 9.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.2 mt -121.8 131.44 54.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.64 HD21 HG21 ' A' ' 82' ' ' THR . 9.0 mt -103.39 153.65 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.2 -173.77 22.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -131.25 133.92 45.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.2 t -52.77 122.01 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.8 -40.49 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.8 m -156.3 128.92 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.96 104.57 11.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -93.68 -172.88 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -95.63 41.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -174.48 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -153.4 168.79 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -144.48 176.65 23.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.533 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -130.08 149.36 51.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -118.35 137.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.05 137.74 35.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.7 p -84.16 165.21 18.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.0 -31.78 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -86.82 -24.15 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 60.49 47.91 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.09 -26.99 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -123.71 160.5 27.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.04 151.21 28.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.627 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.2 mm -116.42 148.23 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -129.48 120.58 25.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -133.24 135.94 45.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.58 145.52 31.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -56.43 -32.96 65.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.0 t -70.78 -27.17 63.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.88 -27.0 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -76.75 129.92 36.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -110.65 108.68 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 142.72 -134.33 5.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -110.06 82.32 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.51 -26.5 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.24 -31.39 60.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.2 p -77.93 -27.37 49.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.46 157.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.41 -179.94 6.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.6 mt -77.45 124.42 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.59 -24.4 19.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.51 159.37 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.7 mtm -99.83 149.38 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 m -144.91 146.86 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -100.12 132.81 45.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.443 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 50.3 p90 -150.77 175.19 12.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 m -135.52 165.94 24.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.627 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.04 138.78 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -121.38 141.17 51.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm 52.63 63.17 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.0 t -81.92 141.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -152.22 132.49 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 137.78 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.64 HG21 HD21 ' A' ' 20' ' ' LEU . 8.1 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -130.86 155.28 47.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.5 mt -107.22 171.54 7.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.978 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.94 -178.28 41.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -133.47 138.53 46.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.958 0.408 . . . . 0.0 110.917 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.58 111.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.82 -36.8 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 m -147.4 136.49 22.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -127.43 99.77 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -95.2 174.9 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -88.76 50.47 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -178.6 -42.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -150.12 149.16 29.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.86 -176.92 21.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -143.13 138.0 29.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.8 mt -123.28 129.68 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.64 129.32 45.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.8 p -70.22 166.39 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.83 -29.09 69.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -75.22 -24.08 57.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 59.76 39.44 20.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.71 -33.16 5.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.33 156.61 42.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.12 150.52 33.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.671 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.1 mm -105.41 147.39 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -124.99 112.48 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -125.22 136.01 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -85.2 151.11 24.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.459 ' CD2' HG11 ' A' ' 53' ' ' VAL . 2.8 m-85 -56.88 -27.06 60.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -33.28 65.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -74.61 -26.27 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.28 138.86 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -116.28 100.44 7.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.68 -147.52 18.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -99.05 75.63 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.459 HG11 ' CD2' ' A' ' 46' ' ' TYR . 7.3 p -61.19 -27.14 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -36.07 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -27.03 65.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.99 160.04 3.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -150.12 179.46 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.8 mt -76.36 118.95 19.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.93 16.14 11.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -105.85 151.49 24.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.773 0.32 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtm -90.16 150.67 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.3 m -150.31 153.9 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -110.34 138.43 46.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -152.16 175.77 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.03 166.48 24.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.874 0.368 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.671 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -107.21 153.33 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.44 140.16 37.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt 61.24 50.47 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.9 t -79.18 130.24 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -142.06 142.3 32.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.37 153.91 14.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.2 mt -107.01 134.28 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 62' ' ' VAL . 12.4 mt -102.84 164.24 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.76 -164.77 20.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.45 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -144.53 140.12 28.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.44 125.18 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.69 -33.22 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -152.53 136.32 16.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.6 mt -123.83 99.6 6.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -96.99 178.43 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.19 45.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -173.21 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -152.95 165.56 35.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.7 177.42 18.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -135.32 147.53 49.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.28 127.06 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -94.72 148.55 22.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -96.15 164.04 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.53 -29.38 58.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -83.58 -24.16 31.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 59.79 41.62 17.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -111.97 -29.49 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -133.17 142.57 48.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -104.81 160.22 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.732 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.5 mm -112.52 148.46 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -121.93 115.73 23.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 40.6 p90 -130.65 137.73 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.78 153.96 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -59.9 -30.27 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -29.48 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -77.34 -26.35 51.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -79.99 123.15 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.4 t -106.45 93.05 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.88 -152.32 22.94 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.33 68.87 9.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.33 -27.54 37.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -77.05 -28.35 54.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.75 27.81 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 26' ' ' LEU . 6.9 mt -89.9 162.39 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -140.16 174.29 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 mt -84.97 136.71 33.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.3 16.14 57.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.44 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.72 160.07 14.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.764 0.316 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.7 mtm -98.78 144.51 27.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.714 ' HA ' HG22 ' A' ' 82' ' ' THR . 9.5 m -148.54 168.47 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.95 140.09 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.427 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 47.5 p90 -157.35 177.28 11.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 m -149.06 160.56 43.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.937 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.732 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -90.59 148.27 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -129.6 131.84 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt 55.34 67.21 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.3 t -83.12 143.01 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -142.13 150.62 41.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.1 153.3 43.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.714 HG22 ' HA ' ' A' ' 62' ' ' VAL . 7.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.853 0.359 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mt -117.13 146.09 43.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 mt -110.74 174.57 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.22 -179.13 42.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -134.46 125.5 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 110.942 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.9 t -52.61 111.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.7 -38.61 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -150.08 139.82 21.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.39 105.02 9.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -91.78 -172.16 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -100.56 40.97 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.48 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -151.98 150.28 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.82 176.21 17.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -131.93 142.98 49.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -120.46 129.3 75.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -101.41 120.86 40.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.8 p -67.08 167.91 11.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.25 -26.58 68.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -80.68 -24.16 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 62.63 41.4 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -114.8 -42.07 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -126.21 145.27 50.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -108.67 167.72 9.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.823 HG21 ' HB2' ' A' ' 76' ' ' ALA . 32.5 mm -116.62 145.88 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -117.07 109.17 16.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -120.32 138.0 53.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.48 144.42 27.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -53.89 -32.08 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -34.12 73.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -74.77 -26.37 59.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.434 ' CE2' HG12 ' A' ' 79' ' ' VAL . 27.5 t80 -76.41 139.49 40.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.57 108.64 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.05 -169.38 22.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.4 81.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.11 -31.87 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.1 -27.99 63.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 p -78.1 -27.15 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -52.63 154.43 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -142.62 -174.49 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.93 126.35 31.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.47 16.11 25.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.9 141.31 36.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.5 mtm -80.69 141.7 34.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.33 156.01 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -106.39 149.26 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -165.07 179.16 6.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p -149.41 170.7 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.88 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -91.24 167.76 12.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.098 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.77 134.58 16.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 57.25 51.55 10.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.434 HG12 ' CE2' ' A' ' 49' ' ' PHE . 36.2 t -72.16 134.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -147.41 142.26 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 135.56 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 mt -100.94 174.51 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.553 HD21 HG21 ' A' ' 82' ' ' THR . 22.4 mt -130.5 165.89 21.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.92 -174.78 38.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -130.23 141.88 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.72 HG12 HD23 ' A' ' 58' ' ' LEU . 43.2 t -60.87 112.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.63 -42.95 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -157.3 124.09 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.603 HD12 HG11 ' A' ' 23' ' ' VAL . 1.6 mt -111.08 115.15 28.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -102.41 -173.45 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.14 37.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.41 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -135.21 164.84 26.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.6 174.93 21.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -136.59 144.53 44.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.842 0.353 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.1 mt -117.96 125.11 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -87.6 119.32 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 p -61.65 169.39 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.32 -31.2 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -84.51 -24.15 29.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.8 m80 62.47 48.7 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -116.23 -28.15 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -121.1 177.91 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -134.56 124.07 24.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.609 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.6 mm -85.31 147.42 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -124.88 111.6 15.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -126.68 135.93 51.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -85.24 145.46 27.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -52.83 -45.69 67.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -29.35 68.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -75.77 -26.31 57.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -76.61 135.9 39.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.31 97.98 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.74 49.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 54.63 75.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.1 p -69.72 -26.4 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -28.21 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 m -79.86 -27.8 40.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -52.43 159.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -159.41 153.01 22.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.72 HD23 HG12 ' A' ' 23' ' ' VAL . 15.1 mt -54.68 126.4 23.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.39 16.05 14.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -117.1 150.78 38.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.9 mtm -84.83 146.59 27.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 m -139.6 151.1 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -110.74 130.09 55.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -149.42 173.24 13.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -139.12 172.99 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.609 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -89.93 165.5 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -139.77 128.6 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp 54.01 68.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.53 137.67 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -149.61 141.16 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.41 161.21 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.553 HG21 HD21 ' A' ' 20' ' ' LEU . 8.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 mt -114.54 143.55 44.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mt -105.56 158.11 16.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.95 179.76 37.1 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -131.37 138.05 48.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.85 109.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.78 -45.85 16.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 m -145.92 143.59 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.3 mt -126.02 101.21 6.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -89.95 -172.14 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.3 43.82 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -176.42 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -155.95 150.41 25.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.77 -174.28 19.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -137.1 150.43 47.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.533 HG21 ' CE1' ' A' ' 64' ' ' TYR . 72.0 mt -125.6 120.34 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.75 130.07 35.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.8 p -74.29 161.56 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.95 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.34 -24.12 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 63.19 73.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.91 -47.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.37 145.08 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -107.6 156.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.711 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.1 mm -102.51 147.85 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -111.55 118.19 35.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -131.05 138.72 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.07 152.09 21.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -57.86 -35.7 71.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.8 m -66.86 -31.43 72.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.04 -26.88 59.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -79.56 139.51 37.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.16 102.21 8.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.19 -151.18 23.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -91.13 71.38 6.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.46 HG23 HD12 ' A' ' 56' ' ' LEU . 12.3 p -74.08 -25.62 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.68 -27.49 61.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.11 27.99 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.53 ' HB3' HD11 ' A' ' 26' ' ' LEU . 5.5 mt -79.13 157.7 27.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.63 160.07 34.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.16 144.31 44.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.66 16.08 74.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.1 150.17 22.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.79 0.328 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.5 mtm -86.69 137.32 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 m -142.19 155.77 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -114.34 142.63 46.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' HG21 ' A' ' 33' ' ' ILE . 47.3 p90 -161.68 170.76 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -119.25 172.69 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.351 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.711 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -102.05 157.64 16.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.37 127.27 29.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? 59.65 72.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.0 t -90.73 145.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -153.41 149.69 28.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -68.06 143.65 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mt -90.66 150.47 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.453 HD21 HG21 ' A' ' 82' ' ' THR . 10.9 mt -105.0 171.64 7.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.27 -175.21 37.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.45 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -137.09 128.19 27.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.3 119.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.09 -30.93 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 m -154.36 132.15 11.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.423 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.7 mt -125.18 104.31 8.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -99.7 -173.33 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -98.2 46.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -176.7 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -152.57 165.2 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.76 177.46 18.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -131.8 150.31 52.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.7 mt -130.05 112.17 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.65 123.19 31.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.1 p -67.87 165.85 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.48 -26.64 65.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.068 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -80.66 -24.2 39.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.9 m80 59.46 31.86 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -108.33 -29.11 9.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -127.3 139.91 52.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -100.74 160.24 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.649 HG21 ' HB2' ' A' ' 76' ' ' ALA . 30.0 mm -121.46 147.63 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -127.0 112.92 15.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -124.83 140.26 53.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.24 152.22 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -58.14 -42.11 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -31.78 69.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -75.92 -26.7 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -77.47 121.11 23.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.9 102.0 11.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.27 -133.77 4.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.08 87.46 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.46 -27.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.94 -43.24 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -62.79 -26.88 68.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.423 ' HB3' HD11 ' A' ' 26' ' ' LEU . 4.2 mt -52.3 154.32 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -148.45 156.95 43.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.88 122.28 14.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.31 16.08 14.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -108.18 167.37 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.1 mtm -99.57 146.5 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.8 m -149.77 142.99 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.53 143.07 31.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.505 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 53.9 p90 -153.48 179.77 8.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.51 159.77 40.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.649 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.56 141.81 28.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.4 143.24 49.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 53.45 68.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.62 147.74 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -159.42 149.05 18.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.19 165.72 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.453 HG21 HD21 ' A' ' 20' ' ' LEU . 12.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.34 -171.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -136.29 162.26 33.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.39 -121.49 1.07 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -30.75 68.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.81 96.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.38 -149.41 2.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -108.81 80.63 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mp -115.12 -39.4 3.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pp -83.0 147.26 28.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.55 -115.6 1.02 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.8 144.34 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.72 100.85 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.74 -40.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -113.28 35.9 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.29 115.67 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.79 172.6 13.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -115.6 147.14 41.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.2 mt -144.17 166.31 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.5 mt -129.86 164.87 23.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.43 -172.7 31.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.85 128.18 32.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 26' ' ' LEU . 71.3 t -53.36 107.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.47 -42.73 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.3 m -152.08 144.08 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' CD1' HG11 ' A' ' 23' ' ' VAL . 5.2 mt -126.75 115.12 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 -174.64 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -98.06 48.76 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -178.35 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -153.14 164.76 37.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.67 168.63 23.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -124.0 155.27 38.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -127.96 130.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.36 117.4 30.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.2 p -62.8 -175.65 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.26 -27.36 59.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.96 -24.1 41.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 m80 63.05 33.38 14.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.1 -27.93 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 170.8 10.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -137.03 144.93 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.675 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.7 mm -98.71 147.88 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -114.8 120.48 40.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -135.64 133.45 38.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -85.7 154.05 21.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -59.5 -28.52 67.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.36 -28.63 62.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.6 -26.6 45.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -79.2 126.09 30.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.24 95.31 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.46 -123.42 1.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.61 64.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.05 -26.82 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.22 -28.01 59.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.7 m -83.82 -27.34 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.8 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 mt -52.67 153.04 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -138.24 -174.1 3.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -84.38 119.09 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.84 -23.71 16.49 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.01 157.33 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.3 mtm -96.6 150.99 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.9 m -144.84 165.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -115.19 133.76 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -150.09 179.85 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -149.35 166.28 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.529 HD22 ' CG2' ' A' ' 74' ' ' VAL . 65.9 mt -125.84 153.19 44.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 t -153.9 54.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -147.17 158.76 44.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.55 -155.14 1.99 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -83.45 112.62 20.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.36 160.02 33.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -75.1 -27.66 59.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.75 102.05 12.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.529 ' CG2' HD22 ' A' ' 66' ' ' LEU . 13.6 p -126.87 144.52 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.49 149.97 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.675 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -90.29 171.03 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -151.14 141.21 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.0 mttt 53.46 50.4 17.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.4 t -73.2 145.16 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.07 144.94 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -64.32 149.28 48.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -150.11 144.68 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.8 t -89.39 164.33 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.36 -177.63 14.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.94 24.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -174.15 163.34 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.7 m -57.65 114.31 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 55.49 89.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.36 28.24 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.806 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.78 81.19 0.34 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 m -104.56 158.13 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -107.03 79.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.98 130.38 47.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.35 117.41 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.91 175.34 5.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -172.74 137.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.13 128.64 5.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.02 96.94 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -53.96 -49.59 68.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.01 162.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -96.91 60.38 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.4 m -160.67 101.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -64.36 -41.72 96.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.2 mmm-85 54.05 85.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mt -120.56 152.03 38.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.614 ' CD2' HG21 ' A' ' 82' ' ' THR . 24.9 mt -100.77 167.54 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.8 174.51 39.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -132.2 133.33 44.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.901 0.381 . . . . 0.0 110.964 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 t -58.03 117.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.36 -37.91 10.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.1 m -154.02 145.95 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 56' ' ' LEU . 7.3 mt -127.26 129.18 47.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -119.14 -175.62 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -97.77 40.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -171.06 -39.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -151.46 153.18 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.57 -179.97 20.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -135.87 132.44 36.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -118.96 134.05 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.24 160.7 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 p -103.66 167.3 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.21 -25.57 59.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -91.05 -24.2 20.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.1 m80 59.46 39.61 21.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -104.44 -28.23 11.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -135.64 142.31 45.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -97.58 156.64 16.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.723 HG21 ' HB2' ' A' ' 76' ' ' ALA . 30.1 mm -111.85 146.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -123.06 110.92 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -122.72 141.71 51.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.821 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.18 151.84 23.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.02 -28.18 67.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.56 -30.43 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.11 -26.96 59.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -77.48 127.84 33.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 102.43 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.28 -141.75 10.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.51 87.45 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 p -86.43 -26.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.78 -27.09 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.44 32.28 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.582 ' HB3' HD11 ' A' ' 26' ' ' LEU . 7.1 mt -87.11 162.91 17.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -134.74 175.9 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.79 118.58 29.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.4 -20.75 27.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.89 147.57 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.2 mtm -86.35 141.93 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.04 172.73 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -130.69 126.37 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -138.72 176.16 8.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -138.19 167.19 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD22 HG12 ' A' ' 74' ' ' VAL . 64.7 mt -132.38 143.04 49.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.9 p -142.54 60.69 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -167.67 131.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.3 -151.27 7.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 52.65 89.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.09 92.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -159.02 -61.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.925 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.97 113.56 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.426 HG12 HD22 ' A' ' 66' ' ' LEU . 23.1 t -137.95 140.14 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.06 163.25 12.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.723 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -91.02 158.78 16.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -143.82 137.19 27.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 57.01 68.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.88 141.79 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -149.42 139.01 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 144.2 56.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.614 HG21 ' CD2' ' A' ' 20' ' ' LEU . 7.0 t -129.15 131.89 47.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -45.79 76.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.87 165.89 21.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.98 2.13 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.95 -174.77 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.4 m 55.66 60.89 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.83 -33.43 70.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.28 -176.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.91 140.81 4.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -85.84 159.53 19.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -71.94 101.45 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.69 -139.47 5.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -147.99 159.21 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.97 118.13 13.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.66 118.05 33.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.17 -164.09 36.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 111.86 3.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.69 136.17 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.33 -174.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -113.03 -27.89 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.66 38.42 12.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -142.66 127.81 18.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -142.72 125.87 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 mt -117.2 155.76 28.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 82' ' ' THR . 10.4 mt -120.48 156.72 30.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.37 -166.08 16.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -137.19 128.54 28.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.537 HG11 ' CD1' ' A' ' 26' ' ' LEU . 39.5 t -53.12 117.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.95 -42.07 10.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -154.07 141.05 19.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' CD1' HG11 ' A' ' 23' ' ' VAL . 3.1 mt -125.38 107.55 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -92.05 -170.37 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -97.12 40.65 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.47 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -148.86 165.07 32.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.69 -179.87 16.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -134.28 152.72 51.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.9 mt -123.16 138.29 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -105.69 114.21 28.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.2 p -63.39 166.16 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.61 74.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -71.98 -24.12 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 63.21 35.69 12.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.54 -31.36 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -124.08 159.67 29.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -126.31 171.87 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.714 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.0 mm -127.03 149.8 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -117.46 125.19 50.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.447 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 36.3 p90 -138.57 141.26 39.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.36 148.89 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -53.81 -38.72 64.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -65.91 -29.93 70.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.52 -27.98 58.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.38 122.55 25.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.3 t -102.61 112.47 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.17 -137.96 9.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.27 85.98 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.59 -25.59 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.06 -45.49 33.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -58.72 -27.47 64.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.84 157.68 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -145.36 -173.87 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.9 mt -79.9 120.55 24.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.65 -27.81 11.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.19 154.32 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.1 mtm -94.58 147.04 23.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.7 m -145.16 145.42 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.33 137.84 39.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -154.86 174.19 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -137.57 172.59 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' SER . 26.6 mt -133.92 152.26 51.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.93 -177.89 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.97 136.02 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.26 149.55 5.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -115.74 32.7 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.82 83.38 1.04 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m120 57.93 69.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.92 179.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -102.5 145.69 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.06 167.82 14.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.714 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -89.15 154.61 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -137.41 127.77 26.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp 59.51 64.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.39 140.68 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -146.78 141.45 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 151.86 26.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.607 HG21 HD21 ' A' ' 20' ' ' LEU . 10.1 t -154.18 128.71 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.8 87.84 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.99 167.58 11.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 178.63 4.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.31 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.16 -178.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.78 122.94 42.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.02 164.47 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.83 177.82 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.92 -67.95 0.33 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -131.36 141.29 49.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.385 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -92.73 136.26 33.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.68 148.13 16.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -65.47 140.7 58.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pp -95.33 172.18 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.78 108.34 19.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.32 43.1 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.527 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? 56.42 84.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -136.63 92.68 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.68 -45.23 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -58.39 -41.34 84.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.13 61.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.34 115.52 28.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? -119.7 130.21 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.5 mt -139.03 124.96 19.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.702 HD23 ' HG2' ' A' ' 61' ' ' MET . 7.5 mp -95.17 159.83 14.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.76 -162.84 10.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -138.23 128.46 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.4 t -57.82 100.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . . . -70.57 -57.52 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -138.95 146.0 40.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mt -127.55 109.76 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -100.91 -175.67 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -96.1 42.11 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.03 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -143.4 161.45 38.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.68 -179.49 16.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -138.23 161.38 37.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.5 mt -135.66 116.32 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 3.6 tt0 -86.95 123.51 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -66.87 149.65 50.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.02 -37.98 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.44 -24.19 62.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.0 t-80 62.94 98.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -175.85 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.85 142.13 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.51 159.93 15.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.3 mm -119.89 149.67 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -126.34 115.37 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -130.78 133.71 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -80.12 152.13 29.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -60.09 -38.39 82.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -31.96 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -74.31 -26.69 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -76.76 145.01 38.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.62 100.2 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.55 -166.56 26.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.95 72.58 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.23 -26.99 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -75.2 -29.21 60.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 p -97.05 29.67 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' A' ' 81' ' ' LYS . 6.9 mt -86.63 163.05 17.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -132.38 159.19 39.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.5 mt -76.0 124.27 27.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.93 -21.3 25.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.54 143.28 50.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.702 ' HG2' HD23 ' A' ' 20' ' ' LEU . 1.2 mtm -80.34 137.66 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.5 m -134.68 138.94 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.63 133.17 45.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -147.89 178.77 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -133.61 162.19 32.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.6 mt -123.97 130.67 52.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.0 p -118.04 51.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.52 -62.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.25 -66.63 0.24 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.44 109.34 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.832 0.348 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -155.23 161.28 30.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.497 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -44.42 66.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.39 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.67 105.17 9.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.13 127.17 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.46 173.53 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -100.2 165.79 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.56 137.24 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm 52.95 76.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 t -93.7 148.3 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -163.47 134.11 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' A' ' 56' ' ' LEU . 18.9 mtpt -53.03 159.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.558 HG21 ' HG ' ' A' ' 20' ' ' LEU . 6.7 t -144.37 138.72 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 m 54.33 85.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.39 177.87 44.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 171.28 14.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.9 m -140.96 -67.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.83 125.65 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.491 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -64.99 128.06 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -106.27 -68.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.33 171.2 32.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.49 168.35 10.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.04 -45.72 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.03 122.34 0.85 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mtm-85 -114.07 160.79 18.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pp -128.08 -177.46 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 117.43 28.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.79 81.49 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -78.61 65.68 3.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -103.4 86.22 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.06 -172.94 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -88.33 164.67 15.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -84.8 139.28 32.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -173.09 92.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -100.05 131.96 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -126.74 163.09 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -135.31 152.17 51.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.22 -155.92 7.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -145.91 133.64 21.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 60' ' ' ASP . 39.4 t -62.98 101.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.88 -52.17 6.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -131.5 135.41 47.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.31 113.02 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -107.69 -178.7 3.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -92.19 47.91 1.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.91 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -155.12 168.31 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.52 -170.19 12.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.537 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -145.42 140.14 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.5 mt -118.9 120.29 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -95.71 118.86 33.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.5 p -63.87 167.75 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.14 -31.43 67.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.42 -24.1 61.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 61.51 31.73 18.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.16 -32.87 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 151.96 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -122.15 161.04 23.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.759 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.9 mm -114.35 143.13 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -111.53 119.01 37.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 35.7 p90 -131.74 134.75 46.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.33 151.78 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -54.35 -31.79 55.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -32.79 70.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -74.47 -26.35 59.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -77.34 119.33 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.11 101.24 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.19 -134.88 6.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -102.46 96.4 6.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 p -90.17 -27.13 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -78.32 -33.22 49.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.2 t -73.09 -27.44 61.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.14 152.19 3.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.48 -176.3 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.7 mt -81.63 120.88 25.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.55 -24.77 23.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.534 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -57.0 145.69 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.847 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.5 mtm -86.68 154.88 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -145.76 159.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -115.17 130.68 56.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -149.9 173.89 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 m -139.32 163.67 31.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.495 HD22 ' CG2' ' A' ' 74' ' ' VAL . 40.9 mt -111.51 145.95 38.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 p -122.25 138.82 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mttt 60.31 175.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.67 136.98 43.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -60.2 -49.12 78.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.15 -133.84 48.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.48 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -106.02 -28.21 10.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -116.15 106.83 14.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG2' HD22 ' A' ' 66' ' ' LEU . 11.7 p -117.41 150.21 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.85 175.37 9.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.759 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -101.5 159.66 15.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.7 126.37 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.27 59.83 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.27 147.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -155.48 141.56 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 150.0 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 t -135.78 32.75 2.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 m -143.26 86.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.15 179.36 42.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.28 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 t 57.7 62.38 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -162.18 74.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.432 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -85.04 -42.98 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.892 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.75 -175.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.08 -36.57 4.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m 55.32 43.48 28.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -109.49 174.23 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.52 -115.08 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -76.2 133.83 40.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.82 106.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mp 52.48 39.42 27.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.54 61.5 4.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.4 172.24 14.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -110.5 155.67 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 p -127.73 125.28 39.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -61.73 117.5 5.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.01 151.66 23.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -72.24 166.97 21.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -113.73 142.03 46.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.7 mt -145.32 156.66 43.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.836 HD21 HG21 ' A' ' 82' ' ' THR . 9.2 mt -115.43 169.85 8.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.56 -169.42 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -140.4 131.68 26.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.938 0.399 . . . . 0.0 110.903 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 t -58.67 104.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.42 -49.05 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -142.95 133.43 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.3 mt -119.95 104.35 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -95.44 -170.14 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -101.08 47.47 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.836 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -178.82 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -144.49 166.8 24.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.99 172.78 22.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.92 145.56 51.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.501 HG21 ' CE2' ' A' ' 64' ' ' TYR . 68.4 mt -123.65 122.54 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.62 126.29 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.2 p -66.03 168.82 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.92 71.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -84.51 -24.14 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 62.17 50.96 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -115.57 -26.74 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -134.24 140.66 46.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.48 154.57 17.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.9 mm -117.65 144.69 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -122.82 112.66 18.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -123.72 135.06 53.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.21 146.08 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.63 -30.15 60.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -29.05 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.31 -26.38 58.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -76.55 120.87 22.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -103.94 92.47 4.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.24 -133.94 3.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -106.17 90.77 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -81.82 -28.29 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -74.78 -35.52 62.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.5 m -72.23 -28.96 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 26' ' ' LEU . 5.3 mt -52.2 156.58 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -142.71 174.61 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.33 124.98 25.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.0 -22.72 35.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.95 145.3 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.1 149.15 26.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 m -151.92 145.18 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.94 133.94 48.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.501 ' CE2' HG21 ' A' ' 33' ' ' ILE . 51.2 p90 -150.31 174.7 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.08 168.48 12.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.3 mt -128.32 144.71 51.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.3 -171.37 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -52.28 55.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.44 -157.01 53.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -56.2 -68.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.01 -55.22 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -105.9 -30.16 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -95.47 124.94 39.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.6 t -113.84 126.67 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m -113.5 177.35 4.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.01 163.56 13.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -141.12 128.47 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.19 65.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.6 t -82.01 143.63 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -147.11 156.28 42.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.86 134.86 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.836 HG21 HD21 ' A' ' 20' ' ' LEU . 12.0 t -125.28 35.24 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 t -146.52 112.3 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.57 170.13 54.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 93.27 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.639 2.226 . . . . 0.0 112.369 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -61.14 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -114.54 70.89 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -92.09 155.39 18.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -140.82 136.44 32.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.58 139.43 45.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.77 140.1 36.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.89 147.72 22.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.39 130.03 2.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.61 119.15 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.73 160.76 22.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mp -136.65 78.94 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.48 129.37 19.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -79.54 117.72 20.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.354 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -139.83 168.95 18.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.13 163.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -91.81 153.98 19.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.14 118.65 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.14 128.06 55.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -129.62 128.22 42.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.2 mt -124.43 157.88 34.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mt -118.83 161.7 19.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.95 -166.77 22.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -141.22 131.8 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.88 106.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.0 -43.68 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.8 m -152.65 137.84 17.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -118.47 108.81 15.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -91.84 -172.61 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.09 41.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -174.96 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -149.35 147.85 28.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.43 170.77 13.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -125.99 143.73 50.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.4 mt -126.64 119.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.66 109.94 20.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.9 p -51.8 166.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.57 -31.42 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -76.0 -24.13 55.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.7 m80 62.87 33.62 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -111.82 -26.45 8.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.572 ' HD3' HG12 ' A' ' 74' ' ' VAL . 20.8 ttmt -130.62 151.38 51.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -115.64 143.01 45.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.632 HG21 ' HB2' ' A' ' 76' ' ' ALA . 33.3 mm -97.9 146.31 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -119.64 113.57 20.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -126.4 138.73 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.78 147.39 24.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.41 -30.87 42.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 p -70.36 -32.75 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.36 -26.23 59.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -77.05 126.51 31.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -106.32 100.4 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.16 -151.96 24.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.13 82.6 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.53 -33.0 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.72 -26.51 64.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m -83.53 -27.01 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mt -52.81 146.07 11.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -116.21 -173.24 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.1 mt -95.01 131.34 41.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.49 -20.06 48.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.52 163.91 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.5 mtm -99.67 149.77 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.8 158.11 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.72 139.17 45.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.549 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 47.1 p90 -155.78 174.12 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -141.55 156.21 45.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.72 HD22 ' CG2' ' A' ' 74' ' ' VAL . 63.8 mt -105.24 125.67 51.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 p -112.01 -178.72 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -87.84 129.96 35.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.08 -50.77 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -134.03 -175.41 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.95 -38.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.19 -49.57 22.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.36 117.0 26.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.72 ' CG2' HD22 ' A' ' 66' ' ' LEU . 11.7 p -100.34 139.13 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.45 177.17 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -107.17 142.38 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.75 130.52 56.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt 58.09 62.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.1 t -76.76 142.92 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -152.87 137.27 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.09 165.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 t -155.83 138.75 15.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.11 161.17 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.63 -171.77 45.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.0 9.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 p -78.56 177.94 8.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.13 179.23 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.31 117.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p -147.32 126.56 13.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.43 -52.57 0.3 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.21 178.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.78 142.55 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.47 -163.92 10.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -87.48 97.33 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.82 -36.32 21.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tp -82.5 159.93 22.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.4 110.01 2.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -100.49 92.99 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -122.06 92.22 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.35 110.51 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -117.91 150.19 39.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 m 56.67 -171.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.48 133.8 55.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.74 132.38 45.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mt -129.51 150.24 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.78 173.75 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.47 -179.52 44.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -133.33 130.9 39.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.16 107.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.75 -41.19 23.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -152.87 144.34 23.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 56' ' ' LEU . 4.0 mt -124.88 99.89 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -90.89 -173.86 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.47 44.11 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.75 -42.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -144.39 169.61 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.62 161.13 24.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -117.9 149.14 41.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -126.27 125.92 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.06 131.69 36.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.2 p -77.34 157.25 30.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.09 -26.28 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.88 -24.16 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.7 m80 62.86 86.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.02 -41.08 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.55 138.52 48.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.81 139.02 36.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.726 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.6 mm -84.54 147.36 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -112.34 117.33 32.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 43.2 p90 -134.67 133.36 39.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -82.38 149.43 27.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -54.41 -47.25 73.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 m -57.01 -31.19 64.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -73.84 -27.44 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -77.46 143.68 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.02 99.52 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.35 52.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.538 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 59.83 94.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -93.92 -29.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -31.16 69.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -79.24 -26.56 42.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' HB3' HD11 ' A' ' 26' ' ' LEU . 2.8 mt -52.31 149.64 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -143.9 161.52 38.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.3 mt -57.59 128.15 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.3 -24.76 19.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -65.18 151.59 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.5 mtm -92.58 149.87 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.2 m -148.48 159.34 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.51 141.72 47.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.401 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 41.5 p90 -153.38 174.52 14.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 66' ' ' LEU . 15.0 m -137.67 172.27 13.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' SER . 23.9 mt -125.74 143.2 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.65 33.15 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.27 87.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.96 171.21 0.92 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.526 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -155.05 43.22 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -168.44 34.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.515 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.8 t30 58.4 29.41 18.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.922 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -161.99 109.2 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 t -94.63 121.54 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.06 168.12 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.726 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -96.75 170.48 9.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.71 130.96 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 mttp 59.92 55.39 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.0 t -75.44 143.35 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -148.13 137.84 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.93 153.52 17.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t -160.14 152.84 21.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -119.44 107.05 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.65 175.99 2.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 104.89 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.382 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -126.06 -64.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.8 t -165.48 160.3 17.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.0 176.5 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.822 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -127.81 167.72 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.63 -61.9 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.32 88.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.846 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -69.02 -178.4 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.63 -154.01 7.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.95 99.74 6.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.49 141.0 58.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.67 150.47 7.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.07 149.15 21.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.54 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -132.31 147.37 52.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -60.28 -44.91 94.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.0 t 56.43 71.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -132.54 145.05 50.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.9 -172.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.59 101.59 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -87.34 132.96 33.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.85 147.2 27.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.657 HD21 HG21 ' A' ' 82' ' ' THR . 10.2 mt -110.45 157.07 19.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.05 -165.95 18.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -141.25 142.04 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG12 HD23 ' A' ' 58' ' ' LEU . 57.9 t -64.14 109.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . . . -88.77 -37.28 15.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.431 HG22 ' HD3' ' A' ' 27' ' ' LYS . 32.4 m -150.06 133.93 16.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 56' ' ' LEU . 2.7 mt -119.3 121.57 39.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HD3' HG22 ' A' ' 25' ' ' THR . 2.2 mmtp -111.34 -172.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.26 42.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.91 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -146.34 166.72 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.08 172.33 22.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -130.46 143.45 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.1 mt -115.11 136.72 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 0.9 OUTLIER -102.71 121.11 41.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -74.2 161.81 29.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.56 -29.05 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -80.17 -24.14 40.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 60.81 40.99 15.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -118.65 -35.84 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 141.24 51.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -107.2 165.16 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.755 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.2 mm -115.05 145.61 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -115.82 115.02 25.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -131.53 134.13 45.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.13 153.38 24.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -57.99 -50.28 73.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -31.43 58.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.37 -27.0 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.477 ' CZ ' HD11 ' A' ' 56' ' ' LEU . 17.9 t80 -79.85 108.74 13.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -88.61 100.26 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.08 -158.73 28.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -85.65 60.43 6.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.57 -27.19 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.71 -32.93 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 36.99 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.527 ' HB3' HD11 ' A' ' 26' ' ' LEU . 7.0 mt -90.09 163.48 14.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -138.9 167.53 21.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 23' ' ' VAL . 37.2 mt -80.58 129.5 34.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.23 -21.95 30.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.62 134.0 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtm -72.0 150.66 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.37 145.37 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.44 140.75 37.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -155.39 177.52 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.14 166.93 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.6 mt -121.33 142.14 50.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.6 p -60.54 175.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -89.85 135.43 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.73 -151.81 17.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.477 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -147.41 125.29 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.69 -173.03 13.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.529 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.35 112.5 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 tptm 61.09 99.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.4 t -91.34 146.79 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 p -103.7 158.21 16.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.755 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.0 143.07 26.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -123.97 131.79 53.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 59.79 69.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.18 142.93 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -144.89 136.35 25.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.78 125.52 24.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.657 HG21 HD21 ' A' ' 20' ' ' LEU . 7.8 t -119.25 142.88 47.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -126.25 -48.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.32 -174.88 36.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -28.16 25.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.8 p -66.47 -174.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.47 142.75 20.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.08 98.13 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.76 147.13 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.67 55.6 0.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -60.53 116.77 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.816 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -126.64 162.47 25.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.21 142.71 3.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -97.22 101.76 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.1 130.07 42.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.54 152.4 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.66 -161.34 27.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 56.46 34.08 23.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.337 . . . . 0.0 110.91 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.4 -51.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.47 34.43 15.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.64 122.82 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.54 -40.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.18 95.18 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -111.59 136.28 51.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -123.37 153.47 40.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 82' ' ' THR . 30.9 mt -121.3 156.21 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.53 -163.51 13.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -140.16 131.89 27.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG11 HD12 ' A' ' 26' ' ' LEU . 59.4 t -53.78 105.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.75 -46.45 14.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.9 m -142.46 133.17 25.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 HG11 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -123.8 112.25 17.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -105.69 -178.28 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.58 46.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.27 -44.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -144.0 164.59 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.25 178.18 18.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -136.88 139.72 41.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.6 mt -112.95 128.44 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -100.56 119.33 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 p -68.84 172.87 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.83 -36.07 78.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -71.93 -24.07 61.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.9 m80 57.98 37.15 26.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.33 -26.74 7.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.62 151.58 42.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -117.0 155.03 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.3 mm -113.87 147.05 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -119.06 109.17 15.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 43.0 p90 -124.73 131.98 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.48 148.28 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.54 -44.89 73.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.8 p -58.22 -29.62 65.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -77.18 -26.57 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -77.47 119.2 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 t -98.56 93.8 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.97 -147.12 14.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -101.65 71.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.827 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.97 -28.96 44.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.86 -32.27 67.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -78.51 -27.24 46.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.32 159.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -142.68 -174.75 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 mt -84.67 126.61 33.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.81 -27.48 16.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.466 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.92 161.74 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.319 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.3 mtm -99.05 156.38 16.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 m -149.08 160.42 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.68 131.81 55.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.42 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 37.0 p90 -154.85 -179.41 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 p -141.25 164.58 29.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.681 HD22 ' CG1' ' A' ' 74' ' ' VAL . 79.5 mt -132.38 109.7 10.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.87 133.69 35.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 tttp 61.3 94.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.95 -42.69 59.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -60.06 127.65 32.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 142.64 -139.74 9.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -153.07 -51.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.98 92.23 7.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.681 ' CG1' HD22 ' A' ' 66' ' ' LEU . 61.5 t -110.28 136.23 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.9 163.52 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.777 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -94.64 128.35 41.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.58 132.51 52.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm 57.37 74.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.17 142.65 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -149.12 147.93 29.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.53 134.44 45.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.405 HG21 HD21 ' A' ' 20' ' ' LEU . 11.6 t -119.72 -32.45 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.5 t 58.03 -176.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -95.56 -171.87 36.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 166.93 25.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.304 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.4 t -126.89 110.1 12.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m 62.43 32.45 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 m -153.25 172.52 16.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.65 179.13 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.69 -157.2 23.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -131.22 -177.25 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.868 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -147.27 -69.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.04 83.63 1.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.23 105.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mp -99.99 122.55 43.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.36 173.93 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.84 149.77 21.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -136.06 71.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -158.16 99.93 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.19 136.86 43.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -77.99 77.1 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -67.42 164.44 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.88 159.56 44.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -124.28 147.97 47.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -142.51 165.16 28.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 82' ' ' THR . 90.2 mt -128.86 160.72 31.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.43 -158.53 9.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -142.49 132.11 23.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.413 HG11 HD12 ' A' ' 26' ' ' LEU . 82.5 t -58.34 104.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . . . -77.71 -51.16 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.2 m -142.97 135.52 27.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD12 HG11 ' A' ' 23' ' ' VAL . 3.5 mt -123.93 109.68 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -97.25 -171.23 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -97.38 45.07 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -177.21 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -148.02 161.9 40.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.04 179.02 17.53 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -137.56 147.48 45.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -118.55 126.82 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.2 tt0 -94.84 135.24 36.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -79.23 165.15 23.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.29 -33.88 69.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -77.34 -24.15 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 61.77 32.54 18.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -104.53 -28.03 11.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.21 176.29 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -135.2 163.98 28.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' A' ' 76' ' ' ALA . 33.8 mm -126.9 146.53 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -124.0 117.25 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -133.74 135.26 43.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.1 153.58 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -57.35 -36.32 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.9 p -66.3 -27.85 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -75.79 -26.67 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -80.12 130.11 34.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.43 105.27 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.78 -146.47 17.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -96.89 79.0 2.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.44 -25.55 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -71.35 -35.32 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.97 -28.71 62.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.17 152.11 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -139.45 -173.64 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.7 mt -83.21 122.55 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.18 -32.51 6.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.17 148.28 11.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.4 mtm -84.13 152.95 24.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.0 m -146.97 152.13 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.13 129.14 46.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -153.46 179.24 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.4 ' O ' HD23 ' A' ' 66' ' ' LEU . 37.5 m -151.61 169.59 21.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 65' ' ' SER . 39.0 mt -126.57 144.27 50.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 p -71.13 -171.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.69 143.45 42.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.76 -154.15 16.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.31 46.49 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 108.14 3.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m120 61.21 179.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 163.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.2 t -90.1 140.31 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 p -143.58 159.36 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.454 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.54 160.59 14.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -138.9 137.28 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.8 mttt 52.84 62.23 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.6 t -81.93 146.42 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -150.75 135.99 17.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 145.26 31.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.556 HG21 HD22 ' A' ' 20' ' ' LEU . 4.6 t -130.94 160.74 33.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.86 -44.6 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.02 171.49 36.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 117.32 5.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 m -163.44 123.46 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.67 125.38 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -81.58 179.4 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.95 143.18 28.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.14 -84.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 57.19 65.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -43.49 60.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.22 62.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.79 173.61 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.2 176.25 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -135.17 65.22 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.87 61.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -84.98 176.66 8.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -171.42 98.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.18 122.46 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.39 50.48 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 m -129.52 137.18 50.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -160.13 89.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.89 135.15 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.1 mt -135.96 157.6 46.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.9 mt -122.56 149.67 43.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.95 179.1 24.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -123.05 128.82 50.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' A' ' 26' ' ' LEU . 61.8 t -60.7 100.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.52 -43.13 50.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.3 m -152.96 142.53 21.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD1' HG11 ' A' ' 23' ' ' VAL . 5.8 mt -127.5 119.08 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -102.91 -173.62 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -96.17 38.32 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.64 -46.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -146.58 145.31 30.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.9 173.81 17.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -130.56 142.23 50.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.4 mt -117.78 136.08 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -100.8 132.01 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.9 p -77.61 153.85 32.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.49 69.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -71.41 -24.17 62.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 62.84 81.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -160.12 -41.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.91 143.55 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.34 170.1 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.683 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.9 mm -122.22 148.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -121.74 113.82 20.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -127.16 132.47 50.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -81.55 146.02 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -54.19 -38.77 65.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -64.89 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.61 -26.71 50.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -77.0 140.95 40.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.14 99.59 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.04 50.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 62.61 90.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.9 p -89.47 -27.91 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -75.44 -30.31 59.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t -73.17 -27.54 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -53.38 161.61 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.1 177.12 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.18 128.66 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.88 -25.09 28.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.65 148.24 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.338 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.2 mtm -90.55 143.59 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.26 165.98 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -122.37 138.56 54.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -153.33 172.95 16.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p -128.1 171.9 11.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.3 mt -129.88 152.58 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.05 134.64 14.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.1 146.65 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.62 -159.13 31.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 104.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.58 132.71 3.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -79.04 -47.98 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -60.23 165.72 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.65 132.83 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.09 165.69 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.683 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -92.11 167.62 11.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.94 141.1 18.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt 57.21 39.88 28.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.94 141.43 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -153.37 136.62 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.46 152.4 18.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -146.77 150.72 35.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.9 m -85.55 91.78 8.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.17 -179.31 45.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 124.34 11.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.55 -65.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.0 t -87.76 115.0 24.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.4 94.97 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.831 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -103.67 158.75 16.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.795 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.38 171.91 23.65 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -129.76 103.48 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.32 175.82 8.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.93 -148.6 19.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.71 150.98 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.03 -36.83 7.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.6 mt 57.94 179.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.86 -131.47 0.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -133.48 96.01 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.365 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -82.33 117.54 22.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 t -95.54 105.04 16.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.67 150.68 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.37 34.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.22 155.06 18.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.74 133.01 21.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.7 mt -144.91 148.18 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD21 HG21 ' A' ' 82' ' ' THR . 40.0 mt -111.15 173.86 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.38 -157.05 13.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -144.51 128.21 17.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.93 104.89 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.67 -53.68 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -144.11 139.38 28.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -120.62 101.92 8.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -85.59 -174.35 5.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.85 38.5 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -167.23 -43.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -150.32 148.2 28.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.75 169.98 13.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -126.11 152.49 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.0 mt -132.49 118.07 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.72 120.69 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.2 p -60.23 168.13 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.29 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -78.44 -24.09 46.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 62.27 33.67 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.71 -34.79 8.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.22 149.64 47.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.58 157.36 17.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.6 mm -116.77 148.47 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -127.73 114.82 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -126.79 141.1 51.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.28 154.27 19.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.49 -39.62 88.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.51 -27.97 68.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.22 -26.47 52.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -77.68 128.85 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.16 114.15 27.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.37 -119.23 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.46 90.32 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.2 p -82.28 -27.67 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -38.88 67.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -27.17 62.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.47 158.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -136.99 -174.69 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -86.39 125.22 33.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.66 -28.03 16.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.466 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.86 150.56 7.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.323 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.9 mtm -86.35 148.49 25.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' HD23 ' A' ' 20' ' ' LEU . 11.3 m -148.13 158.89 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -110.26 141.25 43.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -160.45 168.42 25.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -132.99 169.34 16.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.0 mt -120.69 149.21 42.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.9 t -102.96 154.64 19.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -81.9 147.4 29.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.95 179.14 27.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.426 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.02 115.43 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 145.79 129.08 2.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.18 169.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -63.59 161.91 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.4 t -86.75 141.86 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.29 166.36 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.577 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.97 169.93 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -151.95 142.77 22.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 55.42 44.95 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.78 136.89 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -140.81 148.71 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.32 132.42 43.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.469 HG21 HD21 ' A' ' 20' ' ' LEU . 9.2 t -129.5 39.4 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.31 81.74 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 169.96 172.09 36.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -36.63 10.54 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.49 125.07 28.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.1 p -128.73 34.41 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.495 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.8 -171.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 53.01 41.35 32.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 141.7 25.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 m -78.17 158.22 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -83.39 169.64 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.47 100.88 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -154.01 55.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.33 30.0 17.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.0 tp -55.85 -45.28 78.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.85 37.19 10.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -129.82 -55.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 54.2 35.6 22.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m 60.05 92.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -92.93 108.26 19.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 t -82.17 -58.97 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.543 ' CE ' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -170.15 -47.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 57.59 88.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' CE ' ' A' ' 17' ' ' LYS . 12.2 mt -121.8 131.44 54.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.64 HD21 HG21 ' A' ' 82' ' ' THR . 9.0 mt -103.39 153.65 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.2 -173.77 22.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -131.25 133.92 45.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.2 t -52.77 122.01 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.8 -40.49 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.8 m -156.3 128.92 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.96 104.57 11.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -93.68 -172.88 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -95.63 41.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -174.48 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -153.4 168.79 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -144.48 176.65 23.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.533 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -130.08 149.36 51.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -118.35 137.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.05 137.74 35.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.7 p -84.16 165.21 18.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.0 -31.78 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -86.82 -24.15 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 60.49 47.91 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.09 -26.99 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -123.71 160.5 27.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.04 151.21 28.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.627 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.2 mm -116.42 148.23 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -129.48 120.58 25.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -133.24 135.94 45.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.58 145.52 31.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -56.43 -32.96 65.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.0 t -70.78 -27.17 63.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.88 -27.0 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -76.75 129.92 36.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -110.65 108.68 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 142.72 -134.33 5.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -110.06 82.32 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.51 -26.5 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.24 -31.39 60.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.2 p -77.93 -27.37 49.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.46 157.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.41 -179.94 6.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.6 mt -77.45 124.42 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.59 -24.4 19.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.51 159.37 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.7 mtm -99.83 149.38 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 m -144.91 146.86 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -100.12 132.81 45.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.443 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 50.3 p90 -150.77 175.19 12.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 m -135.52 165.94 24.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.614 HD22 ' CG2' ' A' ' 74' ' ' VAL . 62.4 mt -130.44 154.13 48.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.9 m -119.15 92.48 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 -176.56 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.6 62.21 0.5 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.446 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.21 98.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 160.73 122.84 0.65 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.488 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -81.15 -177.5 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tptt 61.81 93.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.614 ' CG2' HD22 ' A' ' 66' ' ' LEU . 14.9 p -90.46 136.92 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.27 156.32 42.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.627 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.04 138.78 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -121.38 141.17 51.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm 52.63 63.17 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.0 t -81.92 141.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -152.22 132.49 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 137.78 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.64 HG21 HD21 ' A' ' 20' ' ' LEU . 8.1 t -118.54 -31.01 5.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.3 m 55.51 72.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.44 -166.94 12.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.98 51.39 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -76.44 -66.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 m -113.22 -73.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.42 167.54 29.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.54 162.15 40.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.78 -108.62 0.64 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m 53.21 29.84 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -77.93 -34.91 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.29 138.19 4.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -132.47 65.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 53.02 80.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.94 138.56 57.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.02 -162.29 14.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -95.06 -34.21 12.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m120 54.46 90.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 m -111.53 66.03 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -156.18 27.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -124.92 102.0 7.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.29 155.76 16.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.46 148.75 29.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -130.86 155.28 47.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.5 mt -107.22 171.54 7.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.978 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.94 -178.28 41.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -133.47 138.53 46.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.958 0.408 . . . . 0.0 110.917 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.58 111.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.82 -36.8 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 m -147.4 136.49 22.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -127.43 99.77 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -95.2 174.9 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -88.76 50.47 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -178.6 -42.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -150.12 149.16 29.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.86 -176.92 21.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -143.13 138.0 29.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.8 mt -123.28 129.68 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.64 129.32 45.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.8 p -70.22 166.39 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.83 -29.09 69.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -75.22 -24.08 57.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 59.76 39.44 20.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.71 -33.16 5.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.33 156.61 42.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.12 150.52 33.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.671 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.1 mm -105.41 147.39 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -124.99 112.48 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -125.22 136.01 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -85.2 151.11 24.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.459 ' CD2' HG11 ' A' ' 53' ' ' VAL . 2.8 m-85 -56.88 -27.06 60.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -33.28 65.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -74.61 -26.27 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.28 138.86 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -116.28 100.44 7.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.68 -147.52 18.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -99.05 75.63 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.459 HG11 ' CD2' ' A' ' 46' ' ' TYR . 7.3 p -61.19 -27.14 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -36.07 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -27.03 65.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.99 160.04 3.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -150.12 179.46 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.8 mt -76.36 118.95 19.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.93 16.14 11.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -105.85 151.49 24.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.773 0.32 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtm -90.16 150.67 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.3 m -150.31 153.9 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -110.34 138.43 46.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -152.16 175.77 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.03 166.48 24.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.649 HD22 ' CG1' ' A' ' 74' ' ' VAL . 85.0 mt -117.59 153.82 32.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -114.71 79.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt 53.52 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.96 94.58 1.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -154.4 62.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -150.75 -117.55 0.8 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -115.71 -44.66 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -134.6 149.11 50.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.649 ' CG1' HD22 ' A' ' 66' ' ' LEU . 92.2 t -119.63 138.81 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 p -122.72 173.5 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.671 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -107.21 153.33 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.44 140.16 37.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt 61.24 50.47 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.9 t -79.18 130.24 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -142.06 142.3 32.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.37 153.91 14.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 t -152.22 40.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.6 m -73.61 114.05 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 148.6 168.85 14.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.65 34.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.4 m 61.29 86.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.06 89.11 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 t 62.63 164.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.393 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.18 152.78 22.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.75 56.46 0.76 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.21 147.58 50.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -82.76 143.18 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.59 172.68 38.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 60.31 94.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -55.89 150.11 13.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mp -104.91 108.12 19.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.34 -20.01 16.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 55.11 51.66 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -156.57 29.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -40.12 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -96.24 43.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.83 159.3 32.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.57 146.71 16.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -110.96 77.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.2 mt -107.01 134.28 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 62' ' ' VAL . 12.4 mt -102.84 164.24 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.76 -164.77 20.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.45 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -144.53 140.12 28.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.44 125.18 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.69 -33.22 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -152.53 136.32 16.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.6 mt -123.83 99.6 6.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -96.99 178.43 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.19 45.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -173.21 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -152.95 165.56 35.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.7 177.42 18.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -135.32 147.53 49.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.28 127.06 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -94.72 148.55 22.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -96.15 164.04 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.53 -29.38 58.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -83.58 -24.16 31.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 59.79 41.62 17.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -111.97 -29.49 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -133.17 142.57 48.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -104.81 160.22 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.732 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.5 mm -112.52 148.46 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -121.93 115.73 23.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 40.6 p90 -130.65 137.73 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.78 153.96 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -59.9 -30.27 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -29.48 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -77.34 -26.35 51.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -79.99 123.15 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.4 t -106.45 93.05 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.88 -152.32 22.94 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.33 68.87 9.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.33 -27.54 37.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -77.05 -28.35 54.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.75 27.81 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 26' ' ' LEU . 6.9 mt -89.9 162.39 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -140.16 174.29 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 mt -84.97 136.71 33.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.3 16.14 57.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.44 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.72 160.07 14.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.764 0.316 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.7 mtm -98.78 144.51 27.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.714 ' HA ' HG22 ' A' ' 82' ' ' THR . 9.5 m -148.54 168.47 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.95 140.09 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.427 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 47.5 p90 -157.35 177.28 11.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 m -149.06 160.56 43.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.668 HD22 ' CG1' ' A' ' 74' ' ' VAL . 83.2 mt -107.78 121.8 45.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 t -59.6 119.89 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.61 123.82 32.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 142.9 -47.96 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -96.56 119.55 35.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.47 32.43 7.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.513 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -111.77 -59.3 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -119.78 120.76 37.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.668 ' CG1' HD22 ' A' ' 66' ' ' LEU . 65.8 t -102.38 126.54 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.26 171.06 15.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.732 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -90.59 148.27 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -129.6 131.84 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt 55.34 67.21 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.3 t -83.12 143.01 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -142.13 150.62 41.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.1 153.3 43.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.714 HG22 ' HA ' ' A' ' 62' ' ' VAL . 7.2 t -155.93 146.85 22.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 p -172.45 -68.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -176.75 173.82 46.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 156.87 62.19 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.292 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.4 t -71.17 117.91 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 167.71 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m -92.95 56.55 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t -110.66 104.78 13.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.64 121.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.63 -178.59 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -115.6 71.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.94 70.9 1.26 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -168.6 98.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.48 174.52 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -30.76 70.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.17 168.78 19.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.533 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -140.7 -45.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -78.82 135.18 36.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m -83.06 -67.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 t30 58.31 39.49 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -106.66 153.57 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -140.98 160.57 39.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -82.39 128.33 34.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mt -117.13 146.09 43.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 mt -110.74 174.57 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.22 -179.13 42.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -134.46 125.5 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 110.942 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.9 t -52.61 111.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.7 -38.61 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -150.08 139.82 21.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.39 105.02 9.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -91.78 -172.16 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -100.56 40.97 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.48 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -151.98 150.28 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.82 176.21 17.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -131.93 142.98 49.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -120.46 129.3 75.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -101.41 120.86 40.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.8 p -67.08 167.91 11.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.25 -26.58 68.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -80.68 -24.16 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 62.63 41.4 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -114.8 -42.07 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -126.21 145.27 50.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -108.67 167.72 9.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.823 HG21 ' HB2' ' A' ' 76' ' ' ALA . 32.5 mm -116.62 145.88 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -117.07 109.17 16.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -120.32 138.0 53.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.48 144.42 27.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -53.89 -32.08 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -34.12 73.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -74.77 -26.37 59.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.434 ' CE2' HG12 ' A' ' 79' ' ' VAL . 27.5 t80 -76.41 139.49 40.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.57 108.64 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.05 -169.38 22.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.4 81.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.11 -31.87 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.1 -27.99 63.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 p -78.1 -27.15 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -52.63 154.43 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -142.62 -174.49 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.93 126.35 31.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.47 16.11 25.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.9 141.31 36.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.5 mtm -80.69 141.7 34.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.33 156.01 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -106.39 149.26 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -165.07 179.16 6.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p -149.41 170.7 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.657 HD22 HG12 ' A' ' 74' ' ' VAL . 74.0 mt -128.99 142.62 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.21 147.68 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 61.75 170.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.68 -70.46 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 124.41 20.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 155.81 -162.96 31.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -138.29 45.14 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -173.22 119.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.657 HG12 HD22 ' A' ' 66' ' ' LEU . 45.7 t -140.46 142.45 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.45 178.72 8.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -91.24 167.76 12.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.098 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.77 134.58 16.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 57.25 51.55 10.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.434 HG12 ' CE2' ' A' ' 49' ' ' PHE . 36.2 t -72.16 134.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -147.41 142.26 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 135.56 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.6 t -132.92 135.11 45.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 99.1 p -163.96 41.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.03 168.21 40.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 114.68 3.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.232 . . . . 0.0 112.284 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.56 146.33 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -34.59 17.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -168.02 83.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -156.79 174.23 15.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.47 40.48 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.84 99.04 8.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.93 133.22 35.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.42 -51.32 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -153.54 113.96 3.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.33 147.68 52.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.74 86.47 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.27 -22.81 6.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.47 39.51 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 57.22 82.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -97.34 58.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.02 163.23 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.9 p -137.84 140.18 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.58 125.26 51.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.97 125.26 26.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 mt -100.94 174.51 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.553 HD21 HG21 ' A' ' 82' ' ' THR . 22.4 mt -130.5 165.89 21.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.92 -174.78 38.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -130.23 141.88 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.72 HG12 HD23 ' A' ' 58' ' ' LEU . 43.2 t -60.87 112.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.63 -42.95 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -157.3 124.09 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.603 HD12 HG11 ' A' ' 23' ' ' VAL . 1.6 mt -111.08 115.15 28.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -102.41 -173.45 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.14 37.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.41 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -135.21 164.84 26.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.6 174.93 21.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -136.59 144.53 44.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.842 0.353 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.1 mt -117.96 125.11 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -87.6 119.32 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 p -61.65 169.39 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.32 -31.2 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -84.51 -24.15 29.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.8 m80 62.47 48.7 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -116.23 -28.15 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -121.1 177.91 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -134.56 124.07 24.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.609 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.6 mm -85.31 147.42 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -124.88 111.6 15.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -126.68 135.93 51.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -85.24 145.46 27.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -52.83 -45.69 67.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -29.35 68.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -75.77 -26.31 57.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -76.61 135.9 39.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.31 97.98 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.74 49.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 54.63 75.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.1 p -69.72 -26.4 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -28.21 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 m -79.86 -27.8 40.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -52.43 159.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -159.41 153.01 22.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.72 HD23 HG12 ' A' ' 23' ' ' VAL . 15.1 mt -54.68 126.4 23.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.39 16.05 14.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -117.1 150.78 38.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.9 mtm -84.83 146.59 27.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 m -139.6 151.1 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -110.74 130.09 55.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -149.42 173.24 13.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -139.12 172.99 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.0 mt -130.61 137.45 49.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -169.45 -172.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.53 93.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.96 149.47 22.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -131.42 63.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.64 -139.27 2.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -95.53 172.69 7.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.4 mttt 59.42 74.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -111.32 143.06 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.44 175.31 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.609 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -89.93 165.5 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -139.77 128.6 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp 54.01 68.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.53 137.67 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -149.61 141.16 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.41 161.21 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.553 HG21 HD21 ' A' ' 20' ' ' LEU . 8.8 t -156.76 156.37 33.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.15 126.65 28.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.65 168.72 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -24.23 30.0 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.68 125.02 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -108.08 131.32 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -139.62 138.18 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 m -90.57 169.89 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.1 110.22 2.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -34.71 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -172.34 101.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.3 108.39 0.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.88 164.9 7.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.78 141.07 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.61 109.76 16.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.21 -149.44 4.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.82 26.85 16.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -133.4 147.01 51.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.4 t -131.19 43.38 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -63.86 174.71 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m 54.27 31.01 13.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -135.09 70.81 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -83.89 130.2 34.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 mt -114.54 143.55 44.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mt -105.56 158.11 16.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.95 179.76 37.1 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -131.37 138.05 48.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.85 109.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.78 -45.85 16.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 m -145.92 143.59 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.3 mt -126.02 101.21 6.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -89.95 -172.14 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.3 43.82 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -176.42 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -155.95 150.41 25.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.77 -174.28 19.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -137.1 150.43 47.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.533 HG21 ' CE1' ' A' ' 64' ' ' TYR . 72.0 mt -125.6 120.34 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.75 130.07 35.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.8 p -74.29 161.56 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.95 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.34 -24.12 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 63.19 73.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.91 -47.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.37 145.08 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -107.6 156.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.711 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.1 mm -102.51 147.85 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -111.55 118.19 35.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -131.05 138.72 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.07 152.09 21.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -57.86 -35.7 71.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.8 m -66.86 -31.43 72.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.04 -26.88 59.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -79.56 139.51 37.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.16 102.21 8.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.19 -151.18 23.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -91.13 71.38 6.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.46 HG23 HD12 ' A' ' 56' ' ' LEU . 12.3 p -74.08 -25.62 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.68 -27.49 61.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.11 27.99 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.53 ' HB3' HD11 ' A' ' 26' ' ' LEU . 5.5 mt -79.13 157.7 27.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.63 160.07 34.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.16 144.31 44.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.66 16.08 74.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.1 150.17 22.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.79 0.328 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.5 mtm -86.69 137.32 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 m -142.19 155.77 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -114.34 142.63 46.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' HG21 ' A' ' 33' ' ' ILE . 47.3 p90 -161.68 170.76 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -119.25 172.69 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.44 HD22 ' CG1' ' A' ' 74' ' ' VAL . 98.2 mt -130.75 124.99 32.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.31 167.33 18.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.95 139.39 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.83 -75.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 -39.9 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.334 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.62 -35.27 4.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -66.09 -38.96 89.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.13 159.35 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.44 ' CG1' HD22 ' A' ' 66' ' ' LEU . 40.9 t -112.1 133.81 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.75 170.05 10.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.711 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -102.05 157.64 16.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.37 127.27 29.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? 59.65 72.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.0 t -90.73 145.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -153.41 149.69 28.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -68.06 143.65 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 t -140.38 38.58 1.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.21 164.98 17.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.89 171.81 55.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -23.83 30.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.9 126.5 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -55.21 121.57 9.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.446 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.54 163.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -138.28 -43.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.18 178.45 26.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.84 -174.11 3.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -160.94 157.6 26.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.8 -85.7 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.31 -175.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -168.3 129.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.88 143.61 46.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.87 104.96 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.2 -47.16 65.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.54 98.23 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.2 154.75 30.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -148.08 129.79 15.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -68.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -176.03 129.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -101.93 83.3 2.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mt -90.66 150.47 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.453 HD21 HG21 ' A' ' 82' ' ' THR . 10.9 mt -105.0 171.64 7.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.27 -175.21 37.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.45 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -137.09 128.19 27.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.3 119.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.09 -30.93 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 m -154.36 132.15 11.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.423 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.7 mt -125.18 104.31 8.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -99.7 -173.33 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -98.2 46.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -176.7 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -152.57 165.2 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.76 177.46 18.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -131.8 150.31 52.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.7 mt -130.05 112.17 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.65 123.19 31.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.1 p -67.87 165.85 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.48 -26.64 65.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.068 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -80.66 -24.2 39.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.9 m80 59.46 31.86 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -108.33 -29.11 9.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -127.3 139.91 52.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -100.74 160.24 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.649 HG21 ' HB2' ' A' ' 76' ' ' ALA . 30.0 mm -121.46 147.63 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -127.0 112.92 15.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -124.83 140.26 53.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.24 152.22 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -58.14 -42.11 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -31.78 69.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -75.92 -26.7 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -77.47 121.11 23.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.9 102.0 11.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.27 -133.77 4.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.08 87.46 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.46 -27.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.94 -43.24 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -62.79 -26.88 68.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.423 ' HB3' HD11 ' A' ' 26' ' ' LEU . 4.2 mt -52.3 154.32 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -148.45 156.95 43.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.88 122.28 14.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.31 16.08 14.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -108.18 167.37 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.1 mtm -99.57 146.5 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.8 m -149.77 142.99 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.53 143.07 31.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.505 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 53.9 p90 -153.48 179.77 8.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.51 159.77 40.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.8 mt -108.9 155.26 21.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.88 155.71 27.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -104.88 152.33 22.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -166.4 -104.69 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -145.37 29.49 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.27 -140.62 14.96 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 59.27 -174.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.09 167.85 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.5 t -132.16 131.24 61.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.08 154.69 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.649 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.56 141.81 28.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.4 143.24 49.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 53.45 68.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.62 147.74 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -159.42 149.05 18.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.19 165.72 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.453 HG21 HD21 ' A' ' 20' ' ' LEU . 12.9 t -162.8 155.75 19.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.86 179.92 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.85 168.27 16.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 101.29 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.262 . . . . 0.0 112.308 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.31 132.16 2.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -89.76 92.39 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.2 mt -144.17 166.31 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.5 mt -129.86 164.87 23.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.43 -172.7 31.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.85 128.18 32.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 26' ' ' LEU . 71.3 t -53.36 107.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.47 -42.73 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.3 m -152.08 144.08 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' CD1' HG11 ' A' ' 23' ' ' VAL . 5.2 mt -126.75 115.12 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 -174.64 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -98.06 48.76 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -178.35 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -153.14 164.76 37.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.67 168.63 23.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -124.0 155.27 38.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -127.96 130.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.36 117.4 30.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.2 p -62.8 -175.65 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.26 -27.36 59.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.96 -24.1 41.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 m80 63.05 33.38 14.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.1 -27.93 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 170.8 10.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -137.03 144.93 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.675 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.7 mm -98.71 147.88 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -114.8 120.48 40.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -135.64 133.45 38.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -85.7 154.05 21.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -59.5 -28.52 67.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.36 -28.63 62.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.6 -26.6 45.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -79.2 126.09 30.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.24 95.31 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.46 -123.42 1.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.61 64.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.05 -26.82 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.22 -28.01 59.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.7 m -83.82 -27.34 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.8 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 mt -52.67 153.04 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -138.24 -174.1 3.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -84.38 119.09 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.84 -23.71 16.49 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.01 157.33 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.3 mtm -96.6 150.99 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.9 m -144.84 165.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -115.19 133.76 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -150.09 179.85 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -149.35 166.28 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.9 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.675 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -90.29 171.03 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -151.14 141.21 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.0 mttt 53.46 50.4 17.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.4 t -73.2 145.16 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.07 144.94 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -64.32 149.28 48.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.2 mmm-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mt -120.56 152.03 38.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.614 ' CD2' HG21 ' A' ' 82' ' ' THR . 24.9 mt -100.77 167.54 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.8 174.51 39.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -132.2 133.33 44.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.901 0.381 . . . . 0.0 110.964 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 t -58.03 117.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.36 -37.91 10.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.1 m -154.02 145.95 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 56' ' ' LEU . 7.3 mt -127.26 129.18 47.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -119.14 -175.62 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -97.77 40.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -171.06 -39.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -151.46 153.18 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.57 -179.97 20.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -135.87 132.44 36.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -118.96 134.05 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.24 160.7 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 p -103.66 167.3 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.21 -25.57 59.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -91.05 -24.2 20.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.1 m80 59.46 39.61 21.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -104.44 -28.23 11.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -135.64 142.31 45.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -97.58 156.64 16.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.723 HG21 ' HB2' ' A' ' 76' ' ' ALA . 30.1 mm -111.85 146.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -123.06 110.92 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -122.72 141.71 51.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.821 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.18 151.84 23.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.02 -28.18 67.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.56 -30.43 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.11 -26.96 59.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -77.48 127.84 33.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 102.43 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.28 -141.75 10.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.51 87.45 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 p -86.43 -26.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.78 -27.09 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.44 32.28 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.582 ' HB3' HD11 ' A' ' 26' ' ' LEU . 7.1 mt -87.11 162.91 17.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -134.74 175.9 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.79 118.58 29.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.4 -20.75 27.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.89 147.57 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.2 mtm -86.35 141.93 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.04 172.73 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -130.69 126.37 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -138.72 176.16 8.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -138.19 167.19 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 65' ' ' SER . 64.7 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.723 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -91.02 158.78 16.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -143.82 137.19 27.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 57.01 68.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.88 141.79 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -149.42 139.01 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 144.2 56.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.614 HG21 ' CD2' ' A' ' 20' ' ' LEU . 7.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 mt -117.2 155.76 28.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 82' ' ' THR . 10.4 mt -120.48 156.72 30.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.37 -166.08 16.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -137.19 128.54 28.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.537 HG11 ' CD1' ' A' ' 26' ' ' LEU . 39.5 t -53.12 117.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.95 -42.07 10.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -154.07 141.05 19.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.537 ' CD1' HG11 ' A' ' 23' ' ' VAL . 3.1 mt -125.38 107.55 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -92.05 -170.37 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -97.12 40.65 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.47 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -148.86 165.07 32.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.69 -179.87 16.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -134.28 152.72 51.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.9 mt -123.16 138.29 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -105.69 114.21 28.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.2 p -63.39 166.16 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.61 74.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -71.98 -24.12 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 63.21 35.69 12.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.54 -31.36 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -124.08 159.67 29.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -126.31 171.87 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.714 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.0 mm -127.03 149.8 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -117.46 125.19 50.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.447 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 36.3 p90 -138.57 141.26 39.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.36 148.89 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -53.81 -38.72 64.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -65.91 -29.93 70.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.52 -27.98 58.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.38 122.55 25.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.3 t -102.61 112.47 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.17 -137.96 9.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.27 85.98 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.59 -25.59 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.06 -45.49 33.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -58.72 -27.47 64.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.84 157.68 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -145.36 -173.87 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.9 mt -79.9 120.55 24.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.65 -27.81 11.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.19 154.32 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.1 mtm -94.58 147.04 23.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.7 m -145.16 145.42 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.33 137.84 39.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -154.86 174.19 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -137.57 172.59 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' SER . 26.6 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.714 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -89.15 154.61 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -137.41 127.77 26.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp 59.51 64.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.39 140.68 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -146.78 141.45 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 151.86 26.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.607 HG21 HD21 ' A' ' 20' ' ' LEU . 10.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.5 mt -139.03 124.96 19.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.702 HD23 ' HG2' ' A' ' 61' ' ' MET . 7.5 mp -95.17 159.83 14.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.76 -162.84 10.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -138.23 128.46 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.4 t -57.82 100.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . . . -70.57 -57.52 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -138.95 146.0 40.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mt -127.55 109.76 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -100.91 -175.67 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -96.1 42.11 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.03 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -143.4 161.45 38.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.68 -179.49 16.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -138.23 161.38 37.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.5 mt -135.66 116.32 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 3.6 tt0 -86.95 123.51 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -66.87 149.65 50.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.02 -37.98 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.44 -24.19 62.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.0 t-80 62.94 98.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -175.85 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.85 142.13 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.51 159.93 15.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.3 mm -119.89 149.67 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -126.34 115.37 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -130.78 133.71 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -80.12 152.13 29.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -60.09 -38.39 82.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -31.96 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -74.31 -26.69 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -76.76 145.01 38.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.62 100.2 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.55 -166.56 26.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.95 72.58 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.23 -26.99 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -75.2 -29.21 60.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 p -97.05 29.67 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' A' ' 81' ' ' LYS . 6.9 mt -86.63 163.05 17.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -132.38 159.19 39.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.5 mt -76.0 124.27 27.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.93 -21.3 25.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.54 143.28 50.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.702 ' HG2' HD23 ' A' ' 20' ' ' LEU . 1.2 mtm -80.34 137.66 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.5 m -134.68 138.94 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.63 133.17 45.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -147.89 178.77 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -133.61 162.19 32.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -100.2 165.79 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.56 137.24 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm 52.95 76.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 t -93.7 148.3 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -163.47 134.11 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' A' ' 56' ' ' LEU . 18.9 mtpt -53.03 159.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.558 HG21 ' HG ' ' A' ' 20' ' ' LEU . 6.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -126.74 163.09 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -135.31 152.17 51.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.22 -155.92 7.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -145.91 133.64 21.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 60' ' ' ASP . 39.4 t -62.98 101.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.88 -52.17 6.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -131.5 135.41 47.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.31 113.02 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -107.69 -178.7 3.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -92.19 47.91 1.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.91 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -155.12 168.31 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.52 -170.19 12.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.537 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -145.42 140.14 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.5 mt -118.9 120.29 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -95.71 118.86 33.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.5 p -63.87 167.75 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.14 -31.43 67.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.42 -24.1 61.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 61.51 31.73 18.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.16 -32.87 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 151.96 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -122.15 161.04 23.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.759 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.9 mm -114.35 143.13 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -111.53 119.01 37.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 35.7 p90 -131.74 134.75 46.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.33 151.78 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -54.35 -31.79 55.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -32.79 70.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -74.47 -26.35 59.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -77.34 119.33 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.11 101.24 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.19 -134.88 6.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -102.46 96.4 6.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 p -90.17 -27.13 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -78.32 -33.22 49.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.2 t -73.09 -27.44 61.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.14 152.19 3.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.48 -176.3 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.7 mt -81.63 120.88 25.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.55 -24.77 23.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.534 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -57.0 145.69 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.847 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.5 mtm -86.68 154.88 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -145.76 159.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -115.17 130.68 56.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -149.9 173.89 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 m -139.32 163.67 31.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.9 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.759 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -101.5 159.66 15.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.7 126.37 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.27 59.83 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.27 147.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -155.48 141.56 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 150.0 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.7 mt -145.32 156.66 43.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.836 HD21 HG21 ' A' ' 82' ' ' THR . 9.2 mt -115.43 169.85 8.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.56 -169.42 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -140.4 131.68 26.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.938 0.399 . . . . 0.0 110.903 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 t -58.67 104.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.42 -49.05 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -142.95 133.43 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.3 mt -119.95 104.35 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -95.44 -170.14 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -101.08 47.47 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.836 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -178.82 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -144.49 166.8 24.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.99 172.78 22.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.92 145.56 51.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.501 HG21 ' CE2' ' A' ' 64' ' ' TYR . 68.4 mt -123.65 122.54 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.62 126.29 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.2 p -66.03 168.82 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.92 71.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -84.51 -24.14 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 62.17 50.96 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -115.57 -26.74 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -134.24 140.66 46.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.48 154.57 17.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.9 mm -117.65 144.69 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -122.82 112.66 18.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -123.72 135.06 53.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.21 146.08 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.63 -30.15 60.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -29.05 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.31 -26.38 58.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -76.55 120.87 22.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -103.94 92.47 4.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.24 -133.94 3.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -106.17 90.77 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -81.82 -28.29 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -74.78 -35.52 62.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.5 m -72.23 -28.96 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 26' ' ' LEU . 5.3 mt -52.2 156.58 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -142.71 174.61 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.33 124.98 25.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.0 -22.72 35.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.95 145.3 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.1 149.15 26.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 m -151.92 145.18 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.94 133.94 48.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.501 ' CE2' HG21 ' A' ' 33' ' ' ILE . 51.2 p90 -150.31 174.7 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.08 168.48 12.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.01 163.56 13.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -141.12 128.47 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.19 65.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.6 t -82.01 143.63 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -147.11 156.28 42.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.86 134.86 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.836 HG21 HD21 ' A' ' 20' ' ' LEU . 12.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.2 mt -124.43 157.88 34.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mt -118.83 161.7 19.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.95 -166.77 22.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -141.22 131.8 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.88 106.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.0 -43.68 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.8 m -152.65 137.84 17.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -118.47 108.81 15.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -91.84 -172.61 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.09 41.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -174.96 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -149.35 147.85 28.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.43 170.77 13.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -125.99 143.73 50.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.4 mt -126.64 119.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.66 109.94 20.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.9 p -51.8 166.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.57 -31.42 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -76.0 -24.13 55.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.7 m80 62.87 33.62 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -111.82 -26.45 8.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -130.62 151.38 51.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -115.64 143.01 45.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.632 HG21 ' HB2' ' A' ' 76' ' ' ALA . 33.3 mm -97.9 146.31 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -119.64 113.57 20.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -126.4 138.73 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.78 147.39 24.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.41 -30.87 42.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 p -70.36 -32.75 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.36 -26.23 59.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -77.05 126.51 31.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -106.32 100.4 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.16 -151.96 24.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.13 82.6 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.53 -33.0 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.72 -26.51 64.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m -83.53 -27.01 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mt -52.81 146.07 11.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -116.21 -173.24 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.1 mt -95.01 131.34 41.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.49 -20.06 48.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.52 163.91 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.5 mtm -99.67 149.77 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.8 158.11 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.72 139.17 45.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.549 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 47.1 p90 -155.78 174.12 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -141.55 156.21 45.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.8 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.907 0.384 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -107.17 142.38 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.75 130.52 56.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt 58.09 62.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.1 t -76.76 142.92 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -152.87 137.27 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.09 165.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mt -129.51 150.24 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.78 173.75 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.47 -179.52 44.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -133.33 130.9 39.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.16 107.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.75 -41.19 23.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -152.87 144.34 23.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 56' ' ' LEU . 4.0 mt -124.88 99.89 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -90.89 -173.86 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.47 44.11 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.75 -42.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -144.39 169.61 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.62 161.13 24.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -117.9 149.14 41.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -126.27 125.92 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.06 131.69 36.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.2 p -77.34 157.25 30.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.09 -26.28 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.88 -24.16 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.7 m80 62.86 86.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.02 -41.08 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.55 138.52 48.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.81 139.02 36.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.726 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.6 mm -84.54 147.36 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -112.34 117.33 32.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 43.2 p90 -134.67 133.36 39.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -82.38 149.43 27.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -54.41 -47.25 73.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 m -57.01 -31.19 64.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -73.84 -27.44 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -77.46 143.68 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.02 99.52 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.35 52.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.538 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 59.83 94.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -93.92 -29.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -31.16 69.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -79.24 -26.56 42.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.445 ' HB3' HD11 ' A' ' 26' ' ' LEU . 2.8 mt -52.31 149.64 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -143.9 161.52 38.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.3 mt -57.59 128.15 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.3 -24.76 19.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -65.18 151.59 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.5 mtm -92.58 149.87 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.2 m -148.48 159.34 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.51 141.72 47.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.401 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 41.5 p90 -153.38 174.52 14.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 66' ' ' LEU . 15.0 m -137.67 172.27 13.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' SER . 23.9 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.834 0.35 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.726 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -96.75 170.48 9.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.71 130.96 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 mttp 59.92 55.39 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.0 t -75.44 143.35 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -148.13 137.84 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.93 153.52 17.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.85 147.2 27.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.657 HD21 HG21 ' A' ' 82' ' ' THR . 10.2 mt -110.45 157.07 19.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.05 -165.95 18.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -141.25 142.04 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG12 HD23 ' A' ' 58' ' ' LEU . 57.9 t -64.14 109.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . . . -88.77 -37.28 15.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.431 HG22 ' HD3' ' A' ' 27' ' ' LYS . 32.4 m -150.06 133.93 16.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 56' ' ' LEU . 2.7 mt -119.3 121.57 39.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HD3' HG22 ' A' ' 25' ' ' THR . 2.2 mmtp -111.34 -172.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.26 42.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.91 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -146.34 166.72 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.08 172.33 22.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -130.46 143.45 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.1 mt -115.11 136.72 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 0.9 OUTLIER -102.71 121.11 41.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -74.2 161.81 29.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.56 -29.05 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -80.17 -24.14 40.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 60.81 40.99 15.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -118.65 -35.84 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 141.24 51.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -107.2 165.16 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.755 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.2 mm -115.05 145.61 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -115.82 115.02 25.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -131.53 134.13 45.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.13 153.38 24.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -57.99 -50.28 73.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -31.43 58.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.37 -27.0 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.477 ' CZ ' HD11 ' A' ' 56' ' ' LEU . 17.9 t80 -79.85 108.74 13.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -88.61 100.26 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.08 -158.73 28.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -85.65 60.43 6.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.57 -27.19 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.71 -32.93 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 36.99 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.527 ' HB3' HD11 ' A' ' 26' ' ' LEU . 7.0 mt -90.09 163.48 14.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -138.9 167.53 21.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 23' ' ' VAL . 37.2 mt -80.58 129.5 34.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.23 -21.95 30.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.62 134.0 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtm -72.0 150.66 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.37 145.37 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.44 140.75 37.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -155.39 177.52 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.14 166.93 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.882 0.373 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.755 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.0 143.07 26.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -123.97 131.79 53.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 59.79 69.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.18 142.93 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -144.89 136.35 25.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.78 125.52 24.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.657 HG21 HD21 ' A' ' 20' ' ' LEU . 7.8 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -123.37 153.47 40.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 82' ' ' THR . 30.9 mt -121.3 156.21 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.53 -163.51 13.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -140.16 131.89 27.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG11 HD12 ' A' ' 26' ' ' LEU . 59.4 t -53.78 105.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.75 -46.45 14.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.9 m -142.46 133.17 25.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 HG11 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -123.8 112.25 17.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -105.69 -178.28 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.58 46.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.27 -44.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -144.0 164.59 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.25 178.18 18.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -136.88 139.72 41.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.6 mt -112.95 128.44 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -100.56 119.33 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 p -68.84 172.87 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.83 -36.07 78.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -71.93 -24.07 61.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.9 m80 57.98 37.15 26.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.33 -26.74 7.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.62 151.58 42.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -117.0 155.03 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.3 mm -113.87 147.05 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -119.06 109.17 15.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 43.0 p90 -124.73 131.98 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.48 148.28 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.54 -44.89 73.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.8 p -58.22 -29.62 65.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -77.18 -26.57 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -77.47 119.2 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 t -98.56 93.8 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.97 -147.12 14.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -101.65 71.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.827 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.97 -28.96 44.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.86 -32.27 67.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -78.51 -27.24 46.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.32 159.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -142.68 -174.75 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 mt -84.67 126.61 33.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.81 -27.48 16.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.466 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.92 161.74 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.319 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.3 mtm -99.05 156.38 16.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 m -149.08 160.42 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.68 131.81 55.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.42 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 37.0 p90 -154.85 -179.41 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 p -141.25 164.58 29.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 42' ' ' ILE . 79.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.962 0.41 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.777 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -94.64 128.35 41.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.58 132.51 52.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm 57.37 74.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.17 142.65 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -149.12 147.93 29.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.53 134.44 45.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.405 HG21 HD21 ' A' ' 20' ' ' LEU . 11.6 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -142.51 165.16 28.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 82' ' ' THR . 90.2 mt -128.86 160.72 31.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.43 -158.53 9.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -142.49 132.11 23.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.413 HG11 HD12 ' A' ' 26' ' ' LEU . 82.5 t -58.34 104.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . . . -77.71 -51.16 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.2 m -142.97 135.52 27.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD12 HG11 ' A' ' 23' ' ' VAL . 3.5 mt -123.93 109.68 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -97.25 -171.23 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -97.38 45.07 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -177.21 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -148.02 161.9 40.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.04 179.02 17.53 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -137.56 147.48 45.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -118.55 126.82 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.2 tt0 -94.84 135.24 36.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -79.23 165.15 23.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.29 -33.88 69.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -77.34 -24.15 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 61.77 32.54 18.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -104.53 -28.03 11.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.21 176.29 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -135.2 163.98 28.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' A' ' 76' ' ' ALA . 33.8 mm -126.9 146.53 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -124.0 117.25 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -133.74 135.26 43.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.1 153.58 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -57.35 -36.32 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.9 p -66.3 -27.85 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -75.79 -26.67 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -80.12 130.11 34.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.43 105.27 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.78 -146.47 17.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -96.89 79.0 2.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.44 -25.55 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -71.35 -35.32 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.97 -28.71 62.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.17 152.11 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -139.45 -173.64 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.7 mt -83.21 122.55 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.18 -32.51 6.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.17 148.28 11.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.4 mtm -84.13 152.95 24.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.0 m -146.97 152.13 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.13 129.14 46.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -153.46 179.24 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.4 ' O ' HD23 ' A' ' 66' ' ' LEU . 37.5 m -151.61 169.59 21.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 65' ' ' SER . 39.0 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.454 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.54 160.59 14.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -138.9 137.28 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.8 mttt 52.84 62.23 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.6 t -81.93 146.42 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -150.75 135.99 17.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 145.26 31.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.556 HG21 HD22 ' A' ' 20' ' ' LEU . 4.6 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.853 0.358 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.1 mt -135.96 157.6 46.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.9 mt -122.56 149.67 43.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.95 179.1 24.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -123.05 128.82 50.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' A' ' 26' ' ' LEU . 61.8 t -60.7 100.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.52 -43.13 50.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.3 m -152.96 142.53 21.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD1' HG11 ' A' ' 23' ' ' VAL . 5.8 mt -127.5 119.08 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -102.91 -173.62 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -96.17 38.32 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.64 -46.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -146.58 145.31 30.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.9 173.81 17.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -130.56 142.23 50.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.4 mt -117.78 136.08 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -100.8 132.01 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.9 p -77.61 153.85 32.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.49 69.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -71.41 -24.17 62.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 62.84 81.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -160.12 -41.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.91 143.55 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.34 170.1 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.683 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.9 mm -122.22 148.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -121.74 113.82 20.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -127.16 132.47 50.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -81.55 146.02 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -54.19 -38.77 65.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -64.89 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.61 -26.71 50.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -77.0 140.95 40.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.14 99.59 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.04 50.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 62.61 90.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.9 p -89.47 -27.91 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -75.44 -30.31 59.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t -73.17 -27.54 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -53.38 161.61 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.1 177.12 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.18 128.66 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.88 -25.09 28.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.65 148.24 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.338 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.2 mtm -90.55 143.59 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.26 165.98 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -122.37 138.56 54.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -153.33 172.95 16.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p -128.1 171.9 11.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.884 0.373 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.683 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -92.11 167.62 11.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.94 141.1 18.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt 57.21 39.88 28.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.94 141.43 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -153.37 136.62 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.46 152.4 18.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.109 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.7 mt -144.91 148.18 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD21 HG21 ' A' ' 82' ' ' THR . 40.0 mt -111.15 173.86 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.38 -157.05 13.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -144.51 128.21 17.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.93 104.89 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.67 -53.68 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -144.11 139.38 28.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -120.62 101.92 8.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -85.59 -174.35 5.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.85 38.5 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -167.23 -43.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -150.32 148.2 28.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.75 169.98 13.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -126.11 152.49 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.0 mt -132.49 118.07 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.72 120.69 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.2 p -60.23 168.13 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.29 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -78.44 -24.09 46.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 62.27 33.67 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.71 -34.79 8.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.22 149.64 47.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.58 157.36 17.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.6 mm -116.77 148.47 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -127.73 114.82 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -126.79 141.1 51.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.28 154.27 19.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.49 -39.62 88.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.51 -27.97 68.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.22 -26.47 52.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -77.68 128.85 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.16 114.15 27.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.37 -119.23 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.46 90.32 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.2 p -82.28 -27.67 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -38.88 67.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -27.17 62.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.47 158.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -136.99 -174.69 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -86.39 125.22 33.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.66 -28.03 16.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.466 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.86 150.56 7.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.323 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.9 mtm -86.35 148.49 25.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' HD23 ' A' ' 20' ' ' LEU . 11.3 m -148.13 158.89 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -110.26 141.25 43.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -160.45 168.42 25.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -132.99 169.34 16.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.577 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.97 169.93 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -151.95 142.77 22.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 55.42 44.95 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.78 136.89 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -140.81 148.71 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.32 132.42 43.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.469 HG21 HD21 ' A' ' 20' ' ' LEU . 9.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.2 mt -121.8 131.44 54.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.64 HD21 HG21 ' A' ' 82' ' ' THR . 9.0 mt -103.39 153.65 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.2 -173.77 22.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -131.25 133.92 45.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.2 t -52.77 122.01 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.8 -40.49 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.8 m -156.3 128.92 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.96 104.57 11.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -93.68 -172.88 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -95.63 41.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -174.48 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -153.4 168.79 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -144.48 176.65 23.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.533 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -130.08 149.36 51.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -118.35 137.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.05 137.74 35.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.7 p -84.16 165.21 18.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.0 -31.78 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -86.82 -24.15 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 60.49 47.91 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.09 -26.99 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -123.71 160.5 27.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.04 151.21 28.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.627 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.2 mm -116.42 148.23 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -129.48 120.58 25.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -133.24 135.94 45.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.58 145.52 31.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -56.43 -32.96 65.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.0 t -70.78 -27.17 63.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.88 -27.0 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -76.75 129.92 36.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -110.65 108.68 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 142.72 -134.33 5.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -110.06 82.32 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.51 -26.5 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.24 -31.39 60.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.2 p -77.93 -27.37 49.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.46 157.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.41 -179.94 6.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.6 mt -77.45 124.42 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.59 -24.4 19.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.51 159.37 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.7 mtm -99.83 149.38 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 m -144.91 146.86 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -100.12 132.81 45.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.443 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 50.3 p90 -150.77 175.19 12.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 m -135.52 165.94 24.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.627 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.04 138.78 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -121.38 141.17 51.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm 52.63 63.17 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.0 t -81.92 141.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -152.22 132.49 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 137.78 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.64 HG21 HD21 ' A' ' 20' ' ' LEU . 8.1 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -130.86 155.28 47.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.5 mt -107.22 171.54 7.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.978 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.94 -178.28 41.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -133.47 138.53 46.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.958 0.408 . . . . 0.0 110.917 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.58 111.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.82 -36.8 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 m -147.4 136.49 22.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -127.43 99.77 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -95.2 174.9 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -88.76 50.47 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -178.6 -42.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -150.12 149.16 29.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.86 -176.92 21.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -143.13 138.0 29.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.8 mt -123.28 129.68 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.64 129.32 45.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.8 p -70.22 166.39 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.83 -29.09 69.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -75.22 -24.08 57.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 59.76 39.44 20.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.71 -33.16 5.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.33 156.61 42.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.12 150.52 33.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.671 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.1 mm -105.41 147.39 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -124.99 112.48 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -125.22 136.01 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -85.2 151.11 24.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.459 ' CD2' HG11 ' A' ' 53' ' ' VAL . 2.8 m-85 -56.88 -27.06 60.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -33.28 65.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -74.61 -26.27 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.28 138.86 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -116.28 100.44 7.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.68 -147.52 18.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -99.05 75.63 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.459 HG11 ' CD2' ' A' ' 46' ' ' TYR . 7.3 p -61.19 -27.14 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -36.07 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -27.03 65.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.99 160.04 3.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -150.12 179.46 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.8 mt -76.36 118.95 19.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.93 16.14 11.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -105.85 151.49 24.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.773 0.32 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtm -90.16 150.67 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.3 m -150.31 153.9 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -110.34 138.43 46.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -152.16 175.77 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.03 166.48 24.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.874 0.368 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.671 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -107.21 153.33 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.44 140.16 37.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt 61.24 50.47 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.9 t -79.18 130.24 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -142.06 142.3 32.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.37 153.91 14.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.2 mt -107.01 134.28 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 62' ' ' VAL . 12.4 mt -102.84 164.24 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.76 -164.77 20.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.45 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -144.53 140.12 28.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.44 125.18 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.69 -33.22 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -152.53 136.32 16.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.6 mt -123.83 99.6 6.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -96.99 178.43 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.19 45.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -173.21 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -152.95 165.56 35.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.7 177.42 18.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -135.32 147.53 49.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.28 127.06 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -94.72 148.55 22.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -96.15 164.04 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.53 -29.38 58.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -83.58 -24.16 31.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 59.79 41.62 17.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -111.97 -29.49 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -133.17 142.57 48.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -104.81 160.22 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.732 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.5 mm -112.52 148.46 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -121.93 115.73 23.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 40.6 p90 -130.65 137.73 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.78 153.96 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -59.9 -30.27 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -29.48 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -77.34 -26.35 51.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -79.99 123.15 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.4 t -106.45 93.05 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.88 -152.32 22.94 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.33 68.87 9.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.33 -27.54 37.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -77.05 -28.35 54.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.75 27.81 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 26' ' ' LEU . 6.9 mt -89.9 162.39 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -140.16 174.29 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 mt -84.97 136.71 33.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.3 16.14 57.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.44 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.72 160.07 14.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.764 0.316 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.7 mtm -98.78 144.51 27.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.714 ' HA ' HG22 ' A' ' 82' ' ' THR . 9.5 m -148.54 168.47 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.95 140.09 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.427 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 47.5 p90 -157.35 177.28 11.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 m -149.06 160.56 43.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.937 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.732 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -90.59 148.27 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -129.6 131.84 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt 55.34 67.21 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.3 t -83.12 143.01 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -142.13 150.62 41.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.1 153.3 43.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.714 HG22 ' HA ' ' A' ' 62' ' ' VAL . 7.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.853 0.359 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mt -117.13 146.09 43.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 mt -110.74 174.57 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.22 -179.13 42.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -134.46 125.5 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 110.942 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.9 t -52.61 111.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.7 -38.61 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -150.08 139.82 21.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.39 105.02 9.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -91.78 -172.16 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -100.56 40.97 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.48 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -151.98 150.28 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.82 176.21 17.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -131.93 142.98 49.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -120.46 129.3 75.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -101.41 120.86 40.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.8 p -67.08 167.91 11.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.25 -26.58 68.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -80.68 -24.16 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 62.63 41.4 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -114.8 -42.07 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -126.21 145.27 50.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -108.67 167.72 9.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.823 HG21 ' HB2' ' A' ' 76' ' ' ALA . 32.5 mm -116.62 145.88 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -117.07 109.17 16.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -120.32 138.0 53.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.48 144.42 27.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -53.89 -32.08 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -34.12 73.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -74.77 -26.37 59.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.434 ' CE2' HG12 ' A' ' 79' ' ' VAL . 27.5 t80 -76.41 139.49 40.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.57 108.64 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.05 -169.38 22.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.4 81.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.11 -31.87 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.1 -27.99 63.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 p -78.1 -27.15 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -52.63 154.43 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -142.62 -174.49 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.93 126.35 31.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.47 16.11 25.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.9 141.31 36.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.5 mtm -80.69 141.7 34.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.33 156.01 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -106.39 149.26 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -165.07 179.16 6.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p -149.41 170.7 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.88 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -91.24 167.76 12.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.098 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.77 134.58 16.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 57.25 51.55 10.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.434 HG12 ' CE2' ' A' ' 49' ' ' PHE . 36.2 t -72.16 134.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -147.41 142.26 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 135.56 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 mt -100.94 174.51 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.553 HD21 HG21 ' A' ' 82' ' ' THR . 22.4 mt -130.5 165.89 21.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.92 -174.78 38.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -130.23 141.88 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.72 HG12 HD23 ' A' ' 58' ' ' LEU . 43.2 t -60.87 112.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.63 -42.95 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -157.3 124.09 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.603 HD12 HG11 ' A' ' 23' ' ' VAL . 1.6 mt -111.08 115.15 28.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -102.41 -173.45 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.14 37.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.41 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -135.21 164.84 26.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.6 174.93 21.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -136.59 144.53 44.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.842 0.353 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.1 mt -117.96 125.11 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -87.6 119.32 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 p -61.65 169.39 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.32 -31.2 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -84.51 -24.15 29.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.8 m80 62.47 48.7 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -116.23 -28.15 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -121.1 177.91 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -134.56 124.07 24.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.609 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.6 mm -85.31 147.42 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -124.88 111.6 15.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -126.68 135.93 51.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -85.24 145.46 27.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -52.83 -45.69 67.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -29.35 68.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -75.77 -26.31 57.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -76.61 135.9 39.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.31 97.98 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.74 49.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 54.63 75.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.1 p -69.72 -26.4 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -28.21 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 m -79.86 -27.8 40.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -52.43 159.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -159.41 153.01 22.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.72 HD23 HG12 ' A' ' 23' ' ' VAL . 15.1 mt -54.68 126.4 23.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.39 16.05 14.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -117.1 150.78 38.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.9 mtm -84.83 146.59 27.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 m -139.6 151.1 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -110.74 130.09 55.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -149.42 173.24 13.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -139.12 172.99 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.609 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -89.93 165.5 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -139.77 128.6 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp 54.01 68.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.53 137.67 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -149.61 141.16 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.41 161.21 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.553 HG21 HD21 ' A' ' 20' ' ' LEU . 8.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 mt -114.54 143.55 44.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mt -105.56 158.11 16.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.95 179.76 37.1 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -131.37 138.05 48.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.85 109.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.78 -45.85 16.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 m -145.92 143.59 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.3 mt -126.02 101.21 6.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -89.95 -172.14 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.3 43.82 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -176.42 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -155.95 150.41 25.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.77 -174.28 19.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -137.1 150.43 47.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.533 HG21 ' CE1' ' A' ' 64' ' ' TYR . 72.0 mt -125.6 120.34 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.75 130.07 35.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.8 p -74.29 161.56 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.95 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.34 -24.12 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 63.19 73.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.91 -47.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.37 145.08 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -107.6 156.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.711 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.1 mm -102.51 147.85 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -111.55 118.19 35.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -131.05 138.72 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.07 152.09 21.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -57.86 -35.7 71.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.8 m -66.86 -31.43 72.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.04 -26.88 59.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -79.56 139.51 37.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.16 102.21 8.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.19 -151.18 23.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -91.13 71.38 6.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.46 HG23 HD12 ' A' ' 56' ' ' LEU . 12.3 p -74.08 -25.62 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.68 -27.49 61.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.11 27.99 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.53 ' HB3' HD11 ' A' ' 26' ' ' LEU . 5.5 mt -79.13 157.7 27.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.63 160.07 34.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.16 144.31 44.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.66 16.08 74.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.1 150.17 22.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.79 0.328 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.5 mtm -86.69 137.32 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 m -142.19 155.77 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -114.34 142.63 46.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' HG21 ' A' ' 33' ' ' ILE . 47.3 p90 -161.68 170.76 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -119.25 172.69 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.351 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.711 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -102.05 157.64 16.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.37 127.27 29.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? 59.65 72.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.0 t -90.73 145.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.41 149.69 28.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -68.06 143.65 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mt -90.66 150.47 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.453 HD21 HG21 ' A' ' 82' ' ' THR . 10.9 mt -105.0 171.64 7.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.27 -175.21 37.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.45 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -137.09 128.19 27.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.3 119.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.09 -30.93 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 m -154.36 132.15 11.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.423 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.7 mt -125.18 104.31 8.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -99.7 -173.33 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -98.2 46.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -176.7 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -152.57 165.2 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.76 177.46 18.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -131.8 150.31 52.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.7 mt -130.05 112.17 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.65 123.19 31.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.1 p -67.87 165.85 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.48 -26.64 65.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.068 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -80.66 -24.2 39.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.9 m80 59.46 31.86 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -108.33 -29.11 9.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -127.3 139.91 52.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -100.74 160.24 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.649 HG21 ' HB2' ' A' ' 76' ' ' ALA . 30.0 mm -121.46 147.63 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -127.0 112.92 15.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -124.83 140.26 53.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.24 152.22 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -58.14 -42.11 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -31.78 69.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -75.92 -26.7 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -77.47 121.11 23.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.9 102.0 11.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.27 -133.77 4.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.08 87.46 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.46 -27.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.94 -43.24 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -62.79 -26.88 68.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.423 ' HB3' HD11 ' A' ' 26' ' ' LEU . 4.2 mt -52.3 154.32 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -148.45 156.95 43.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.88 122.28 14.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.31 16.08 14.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -108.18 167.37 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.1 mtm -99.57 146.5 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.8 m -149.77 142.99 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.53 143.07 31.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.505 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 53.9 p90 -153.48 179.77 8.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.51 159.77 40.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.649 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.56 141.81 28.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.4 143.24 49.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 53.45 68.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.62 147.74 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.42 149.05 18.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.19 165.72 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.453 HG21 HD21 ' A' ' 20' ' ' LEU . 12.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.34 -171.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -136.29 162.26 33.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.39 -121.49 1.07 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -30.75 68.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.81 96.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.38 -149.41 2.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -108.81 80.63 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mp -115.12 -39.4 3.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pp -83.0 147.26 28.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.55 -115.6 1.02 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.8 144.34 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.72 100.85 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.74 -40.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -113.28 35.9 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.29 115.67 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.79 172.6 13.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -115.6 147.14 41.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.2 mt -144.17 166.31 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.5 mt -129.86 164.87 23.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.43 -172.7 31.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.85 128.18 32.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 26' ' ' LEU . 71.3 t -53.36 107.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.47 -42.73 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.3 m -152.08 144.08 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' CD1' HG11 ' A' ' 23' ' ' VAL . 5.2 mt -126.75 115.12 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 -174.64 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -98.06 48.76 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -178.35 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -153.14 164.76 37.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.67 168.63 23.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -124.0 155.27 38.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -127.96 130.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.36 117.4 30.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.2 p -62.8 -175.65 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.26 -27.36 59.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.96 -24.1 41.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 m80 63.05 33.38 14.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.1 -27.93 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 170.8 10.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -137.03 144.93 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.675 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.7 mm -98.71 147.88 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -114.8 120.48 40.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -135.64 133.45 38.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -85.7 154.05 21.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -59.5 -28.52 67.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.36 -28.63 62.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.6 -26.6 45.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -79.2 126.09 30.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.24 95.31 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.46 -123.42 1.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.61 64.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.05 -26.82 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.22 -28.01 59.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.7 m -83.82 -27.34 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.8 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 mt -52.67 153.04 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -138.24 -174.1 3.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -84.38 119.09 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.84 -23.71 16.49 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.01 157.33 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.3 mtm -96.6 150.99 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.9 m -144.84 165.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -115.19 133.76 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -150.09 179.85 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -149.35 166.28 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.529 HD22 ' CG2' ' A' ' 74' ' ' VAL . 65.9 mt -125.84 153.19 44.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 t -153.9 54.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -147.17 158.76 44.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.55 -155.14 1.99 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -83.45 112.62 20.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.36 160.02 33.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -75.1 -27.66 59.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.75 102.05 12.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.529 ' CG2' HD22 ' A' ' 66' ' ' LEU . 13.6 p -126.87 144.52 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.49 149.97 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.675 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -90.29 171.03 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -151.14 141.21 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.0 mttt 53.46 50.4 17.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.4 t -73.2 145.16 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.07 144.94 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -64.32 149.28 48.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -150.11 144.68 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.8 t -89.39 164.33 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.36 -177.63 14.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.94 24.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -174.15 163.34 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.7 m -57.65 114.31 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 55.49 89.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.36 28.24 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.806 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.78 81.19 0.34 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 m -104.56 158.13 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -107.03 79.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.98 130.38 47.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.35 117.41 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.91 175.34 5.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -172.74 137.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.13 128.64 5.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.02 96.94 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -53.96 -49.59 68.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.01 162.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -96.91 60.38 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.4 m -160.67 101.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -64.36 -41.72 96.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.2 mmm-85 54.05 85.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mt -120.56 152.03 38.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.614 ' CD2' HG21 ' A' ' 82' ' ' THR . 24.9 mt -100.77 167.54 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.8 174.51 39.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -132.2 133.33 44.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.901 0.381 . . . . 0.0 110.964 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 t -58.03 117.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.36 -37.91 10.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.1 m -154.02 145.95 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 56' ' ' LEU . 7.3 mt -127.26 129.18 47.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -119.14 -175.62 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -97.77 40.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -171.06 -39.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -151.46 153.18 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.57 -179.97 20.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -135.87 132.44 36.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -118.96 134.05 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.24 160.7 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 p -103.66 167.3 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.21 -25.57 59.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -91.05 -24.2 20.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.1 m80 59.46 39.61 21.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -104.44 -28.23 11.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -135.64 142.31 45.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -97.58 156.64 16.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.723 HG21 ' HB2' ' A' ' 76' ' ' ALA . 30.1 mm -111.85 146.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -123.06 110.92 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -122.72 141.71 51.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.821 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.18 151.84 23.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.02 -28.18 67.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.56 -30.43 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.11 -26.96 59.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -77.48 127.84 33.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 102.43 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.28 -141.75 10.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.51 87.45 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 p -86.43 -26.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.78 -27.09 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.44 32.28 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.582 ' HB3' HD11 ' A' ' 26' ' ' LEU . 7.1 mt -87.11 162.91 17.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -134.74 175.9 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.79 118.58 29.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.4 -20.75 27.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.89 147.57 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.2 mtm -86.35 141.93 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.04 172.73 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -130.69 126.37 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -138.72 176.16 8.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -138.19 167.19 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD22 HG12 ' A' ' 74' ' ' VAL . 64.7 mt -132.38 143.04 49.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.9 p -142.54 60.69 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -167.67 131.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.3 -151.27 7.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 52.65 89.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.09 92.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -159.02 -61.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.925 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.97 113.56 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.426 HG12 HD22 ' A' ' 66' ' ' LEU . 23.1 t -137.95 140.14 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.06 163.25 12.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.723 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -91.02 158.78 16.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -143.82 137.19 27.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 57.01 68.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.88 141.79 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -149.42 139.01 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 144.2 56.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.614 HG21 ' CD2' ' A' ' 20' ' ' LEU . 7.0 t -129.15 131.89 47.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -45.79 76.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.87 165.89 21.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.98 2.13 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.95 -174.77 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.4 m 55.66 60.89 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.83 -33.43 70.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.28 -176.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.91 140.81 4.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -85.84 159.53 19.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -71.94 101.45 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.69 -139.47 5.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -147.99 159.21 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.97 118.13 13.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.66 118.05 33.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.17 -164.09 36.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 111.86 3.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.69 136.17 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.33 -174.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -113.03 -27.89 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.66 38.42 12.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -142.66 127.81 18.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -142.72 125.87 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 mt -117.2 155.76 28.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 82' ' ' THR . 10.4 mt -120.48 156.72 30.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.37 -166.08 16.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -137.19 128.54 28.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.537 HG11 ' CD1' ' A' ' 26' ' ' LEU . 39.5 t -53.12 117.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.95 -42.07 10.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -154.07 141.05 19.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' CD1' HG11 ' A' ' 23' ' ' VAL . 3.1 mt -125.38 107.55 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -92.05 -170.37 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -97.12 40.65 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.47 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -148.86 165.07 32.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.69 -179.87 16.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -134.28 152.72 51.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.9 mt -123.16 138.29 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -105.69 114.21 28.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.2 p -63.39 166.16 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.61 74.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -71.98 -24.12 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 63.21 35.69 12.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.54 -31.36 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -124.08 159.67 29.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -126.31 171.87 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.714 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.0 mm -127.03 149.8 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -117.46 125.19 50.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.447 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 36.3 p90 -138.57 141.26 39.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.36 148.89 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -53.81 -38.72 64.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -65.91 -29.93 70.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.52 -27.98 58.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.38 122.55 25.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.3 t -102.61 112.47 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.17 -137.96 9.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.27 85.98 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.59 -25.59 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.06 -45.49 33.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -58.72 -27.47 64.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.84 157.68 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -145.36 -173.87 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.9 mt -79.9 120.55 24.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.65 -27.81 11.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.19 154.32 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.1 mtm -94.58 147.04 23.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.7 m -145.16 145.42 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.33 137.84 39.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -154.86 174.19 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -137.57 172.59 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' SER . 26.6 mt -133.92 152.26 51.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.93 -177.89 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.97 136.02 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.26 149.55 5.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -115.74 32.7 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.82 83.38 1.04 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m120 57.93 69.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.92 179.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -102.5 145.69 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.06 167.82 14.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.714 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -89.15 154.61 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -137.41 127.77 26.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp 59.51 64.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.39 140.68 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -146.78 141.45 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 151.86 26.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.607 HG21 HD21 ' A' ' 20' ' ' LEU . 10.1 t -154.18 128.71 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.8 87.84 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.99 167.58 11.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 178.63 4.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.31 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.16 -178.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.78 122.94 42.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.02 164.47 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.83 177.82 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.92 -67.95 0.33 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -131.36 141.29 49.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.385 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -92.73 136.26 33.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.68 148.13 16.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -65.47 140.7 58.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pp -95.33 172.18 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.78 108.34 19.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.32 43.1 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.527 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? 56.42 84.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -136.63 92.68 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.68 -45.23 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -58.39 -41.34 84.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.13 61.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.34 115.52 28.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? -119.7 130.21 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.5 mt -139.03 124.96 19.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.702 HD23 ' HG2' ' A' ' 61' ' ' MET . 7.5 mp -95.17 159.83 14.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.76 -162.84 10.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -138.23 128.46 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.4 t -57.82 100.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . . . -70.57 -57.52 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -138.95 146.0 40.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mt -127.55 109.76 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -100.91 -175.67 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -96.1 42.11 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.03 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -143.4 161.45 38.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.68 -179.49 16.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -138.23 161.38 37.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.5 mt -135.66 116.32 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 3.6 tt0 -86.95 123.51 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -66.87 149.65 50.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.02 -37.98 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.44 -24.19 62.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.0 t-80 62.94 98.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -175.85 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.85 142.13 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.51 159.93 15.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.3 mm -119.89 149.67 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -126.34 115.37 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -130.78 133.71 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -80.12 152.13 29.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -60.09 -38.39 82.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -31.96 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -74.31 -26.69 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -76.76 145.01 38.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.62 100.2 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.55 -166.56 26.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.95 72.58 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.23 -26.99 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -75.2 -29.21 60.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 p -97.05 29.67 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' A' ' 81' ' ' LYS . 6.9 mt -86.63 163.05 17.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -132.38 159.19 39.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.5 mt -76.0 124.27 27.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.93 -21.3 25.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.54 143.28 50.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.702 ' HG2' HD23 ' A' ' 20' ' ' LEU . 1.2 mtm -80.34 137.66 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.5 m -134.68 138.94 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.63 133.17 45.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -147.89 178.77 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -133.61 162.19 32.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.6 mt -123.97 130.67 52.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.0 p -118.04 51.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.52 -62.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.25 -66.63 0.24 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.44 109.34 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.832 0.348 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -155.23 161.28 30.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.497 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -44.42 66.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.39 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.67 105.17 9.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.13 127.17 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.46 173.53 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -100.2 165.79 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.56 137.24 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm 52.95 76.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 t -93.7 148.3 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -163.47 134.11 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' A' ' 56' ' ' LEU . 18.9 mtpt -53.03 159.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.558 HG21 ' HG ' ' A' ' 20' ' ' LEU . 6.7 t -144.37 138.72 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 m 54.33 85.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.39 177.87 44.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 171.28 14.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.9 m -140.96 -67.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.83 125.65 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.491 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -64.99 128.06 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -106.27 -68.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.33 171.2 32.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.49 168.35 10.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.04 -45.72 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.03 122.34 0.85 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mtm-85 -114.07 160.79 18.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pp -128.08 -177.46 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 117.43 28.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.79 81.49 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -78.61 65.68 3.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -103.4 86.22 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.06 -172.94 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -88.33 164.67 15.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -84.8 139.28 32.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -173.09 92.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -100.05 131.96 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -126.74 163.09 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -135.31 152.17 51.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.22 -155.92 7.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -145.91 133.64 21.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 60' ' ' ASP . 39.4 t -62.98 101.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.88 -52.17 6.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -131.5 135.41 47.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.31 113.02 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -107.69 -178.7 3.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -92.19 47.91 1.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.91 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -155.12 168.31 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.52 -170.19 12.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.537 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -145.42 140.14 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.5 mt -118.9 120.29 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -95.71 118.86 33.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.5 p -63.87 167.75 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.14 -31.43 67.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.42 -24.1 61.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 61.51 31.73 18.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.16 -32.87 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 151.96 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -122.15 161.04 23.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.759 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.9 mm -114.35 143.13 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -111.53 119.01 37.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 35.7 p90 -131.74 134.75 46.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.33 151.78 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -54.35 -31.79 55.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -32.79 70.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -74.47 -26.35 59.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -77.34 119.33 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.11 101.24 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.19 -134.88 6.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -102.46 96.4 6.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 p -90.17 -27.13 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -78.32 -33.22 49.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.2 t -73.09 -27.44 61.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.14 152.19 3.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.48 -176.3 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.7 mt -81.63 120.88 25.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.55 -24.77 23.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.534 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -57.0 145.69 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.847 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.5 mtm -86.68 154.88 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -145.76 159.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -115.17 130.68 56.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -149.9 173.89 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 m -139.32 163.67 31.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.495 HD22 ' CG2' ' A' ' 74' ' ' VAL . 40.9 mt -111.51 145.95 38.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 p -122.25 138.82 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mttt 60.31 175.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.67 136.98 43.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -60.2 -49.12 78.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.15 -133.84 48.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.48 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -106.02 -28.21 10.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -116.15 106.83 14.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG2' HD22 ' A' ' 66' ' ' LEU . 11.7 p -117.41 150.21 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.85 175.37 9.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.759 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -101.5 159.66 15.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.7 126.37 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.27 59.83 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.27 147.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -155.48 141.56 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 150.0 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 t -135.78 32.75 2.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 m -143.26 86.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.15 179.36 42.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.28 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 t 57.7 62.38 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -162.18 74.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.432 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -85.04 -42.98 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.892 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.75 -175.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.08 -36.57 4.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m 55.32 43.48 28.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -109.49 174.23 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.52 -115.08 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -76.2 133.83 40.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.82 106.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mp 52.48 39.42 27.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.54 61.5 4.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.4 172.24 14.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -110.5 155.67 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 p -127.73 125.28 39.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -61.73 117.5 5.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.01 151.66 23.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -72.24 166.97 21.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -113.73 142.03 46.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.7 mt -145.32 156.66 43.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.836 HD21 HG21 ' A' ' 82' ' ' THR . 9.2 mt -115.43 169.85 8.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.56 -169.42 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -140.4 131.68 26.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.938 0.399 . . . . 0.0 110.903 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 t -58.67 104.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.42 -49.05 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -142.95 133.43 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.3 mt -119.95 104.35 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -95.44 -170.14 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -101.08 47.47 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.836 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -178.82 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -144.49 166.8 24.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.99 172.78 22.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.92 145.56 51.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.501 HG21 ' CE2' ' A' ' 64' ' ' TYR . 68.4 mt -123.65 122.54 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.62 126.29 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.2 p -66.03 168.82 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.92 71.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -84.51 -24.14 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 62.17 50.96 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -115.57 -26.74 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -134.24 140.66 46.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.48 154.57 17.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.9 mm -117.65 144.69 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -122.82 112.66 18.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -123.72 135.06 53.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.21 146.08 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.63 -30.15 60.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -29.05 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.31 -26.38 58.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -76.55 120.87 22.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -103.94 92.47 4.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.24 -133.94 3.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -106.17 90.77 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -81.82 -28.29 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -74.78 -35.52 62.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.5 m -72.23 -28.96 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 26' ' ' LEU . 5.3 mt -52.2 156.58 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -142.71 174.61 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.33 124.98 25.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.0 -22.72 35.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.95 145.3 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.1 149.15 26.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 m -151.92 145.18 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.94 133.94 48.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.501 ' CE2' HG21 ' A' ' 33' ' ' ILE . 51.2 p90 -150.31 174.7 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.08 168.48 12.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.3 mt -128.32 144.71 51.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.3 -171.37 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -52.28 55.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.44 -157.01 53.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -56.2 -68.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.01 -55.22 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -105.9 -30.16 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -95.47 124.94 39.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.6 t -113.84 126.67 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m -113.5 177.35 4.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.01 163.56 13.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -141.12 128.47 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.19 65.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.6 t -82.01 143.63 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -147.11 156.28 42.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.86 134.86 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.836 HG21 HD21 ' A' ' 20' ' ' LEU . 12.0 t -125.28 35.24 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 t -146.52 112.3 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.57 170.13 54.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 93.27 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.639 2.226 . . . . 0.0 112.369 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -61.14 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -114.54 70.89 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -92.09 155.39 18.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -140.82 136.44 32.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.58 139.43 45.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.77 140.1 36.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.89 147.72 22.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.39 130.03 2.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.61 119.15 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.73 160.76 22.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mp -136.65 78.94 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.48 129.37 19.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -79.54 117.72 20.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.354 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -139.83 168.95 18.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.13 163.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -91.81 153.98 19.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.14 118.65 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.14 128.06 55.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -129.62 128.22 42.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.2 mt -124.43 157.88 34.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mt -118.83 161.7 19.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.95 -166.77 22.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -141.22 131.8 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.88 106.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.0 -43.68 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.8 m -152.65 137.84 17.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -118.47 108.81 15.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -91.84 -172.61 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.09 41.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -174.96 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -149.35 147.85 28.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.43 170.77 13.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -125.99 143.73 50.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.4 mt -126.64 119.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.66 109.94 20.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.9 p -51.8 166.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.57 -31.42 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -76.0 -24.13 55.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.7 m80 62.87 33.62 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -111.82 -26.45 8.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.572 ' HD3' HG12 ' A' ' 74' ' ' VAL . 20.8 ttmt -130.62 151.38 51.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -115.64 143.01 45.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.632 HG21 ' HB2' ' A' ' 76' ' ' ALA . 33.3 mm -97.9 146.31 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -119.64 113.57 20.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -126.4 138.73 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.78 147.39 24.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.41 -30.87 42.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 p -70.36 -32.75 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.36 -26.23 59.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -77.05 126.51 31.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -106.32 100.4 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.16 -151.96 24.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.13 82.6 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.53 -33.0 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.72 -26.51 64.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m -83.53 -27.01 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mt -52.81 146.07 11.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -116.21 -173.24 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.1 mt -95.01 131.34 41.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.49 -20.06 48.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.52 163.91 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.5 mtm -99.67 149.77 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.8 158.11 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.72 139.17 45.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.549 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 47.1 p90 -155.78 174.12 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -141.55 156.21 45.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.72 HD22 ' CG2' ' A' ' 74' ' ' VAL . 63.8 mt -105.24 125.67 51.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 p -112.01 -178.72 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -87.84 129.96 35.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.08 -50.77 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -134.03 -175.41 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.95 -38.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.19 -49.57 22.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.36 117.0 26.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.72 ' CG2' HD22 ' A' ' 66' ' ' LEU . 11.7 p -100.34 139.13 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.45 177.17 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -107.17 142.38 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.75 130.52 56.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt 58.09 62.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.1 t -76.76 142.92 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -152.87 137.27 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.09 165.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 t -155.83 138.75 15.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.11 161.17 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.63 -171.77 45.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.0 9.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 p -78.56 177.94 8.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.13 179.23 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.31 117.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p -147.32 126.56 13.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.43 -52.57 0.3 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.21 178.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.78 142.55 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.47 -163.92 10.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -87.48 97.33 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.82 -36.32 21.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tp -82.5 159.93 22.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.4 110.01 2.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -100.49 92.99 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -122.06 92.22 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.35 110.51 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -117.91 150.19 39.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 m 56.67 -171.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.48 133.8 55.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.74 132.38 45.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mt -129.51 150.24 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.78 173.75 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.47 -179.52 44.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -133.33 130.9 39.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.16 107.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.75 -41.19 23.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -152.87 144.34 23.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 56' ' ' LEU . 4.0 mt -124.88 99.89 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -90.89 -173.86 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.47 44.11 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.75 -42.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -144.39 169.61 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.62 161.13 24.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -117.9 149.14 41.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -126.27 125.92 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.06 131.69 36.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.2 p -77.34 157.25 30.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.09 -26.28 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.88 -24.16 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.7 m80 62.86 86.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.02 -41.08 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.55 138.52 48.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.81 139.02 36.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.726 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.6 mm -84.54 147.36 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -112.34 117.33 32.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 43.2 p90 -134.67 133.36 39.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -82.38 149.43 27.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -54.41 -47.25 73.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 m -57.01 -31.19 64.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -73.84 -27.44 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -77.46 143.68 38.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.02 99.52 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.35 52.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.538 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 59.83 94.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -93.92 -29.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -31.16 69.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -79.24 -26.56 42.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' HB3' HD11 ' A' ' 26' ' ' LEU . 2.8 mt -52.31 149.64 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -143.9 161.52 38.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.3 mt -57.59 128.15 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.3 -24.76 19.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -65.18 151.59 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.5 mtm -92.58 149.87 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.2 m -148.48 159.34 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.51 141.72 47.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.401 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 41.5 p90 -153.38 174.52 14.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 66' ' ' LEU . 15.0 m -137.67 172.27 13.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' SER . 23.9 mt -125.74 143.2 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.65 33.15 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.27 87.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.96 171.21 0.92 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.526 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -155.05 43.22 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -168.44 34.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.515 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.8 t30 58.4 29.41 18.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.922 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -161.99 109.2 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 t -94.63 121.54 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.06 168.12 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.726 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -96.75 170.48 9.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.71 130.96 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 mttp 59.92 55.39 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.0 t -75.44 143.35 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -148.13 137.84 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.93 153.52 17.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t -160.14 152.84 21.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -119.44 107.05 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.65 175.99 2.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 104.89 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.382 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -126.06 -64.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.8 t -165.48 160.3 17.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.0 176.5 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.822 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -127.81 167.72 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.63 -61.9 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.32 88.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.846 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -69.02 -178.4 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.63 -154.01 7.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.95 99.74 6.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.49 141.0 58.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.67 150.47 7.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.07 149.15 21.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.54 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -132.31 147.37 52.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -60.28 -44.91 94.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.0 t 56.43 71.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -132.54 145.05 50.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.9 -172.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.59 101.59 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -87.34 132.96 33.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.85 147.2 27.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.657 HD21 HG21 ' A' ' 82' ' ' THR . 10.2 mt -110.45 157.07 19.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.05 -165.95 18.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -141.25 142.04 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG12 HD23 ' A' ' 58' ' ' LEU . 57.9 t -64.14 109.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . . . -88.77 -37.28 15.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.431 HG22 ' HD3' ' A' ' 27' ' ' LYS . 32.4 m -150.06 133.93 16.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 56' ' ' LEU . 2.7 mt -119.3 121.57 39.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HD3' HG22 ' A' ' 25' ' ' THR . 2.2 mmtp -111.34 -172.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.26 42.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.91 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -146.34 166.72 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.08 172.33 22.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -130.46 143.45 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.1 mt -115.11 136.72 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 0.9 OUTLIER -102.71 121.11 41.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -74.2 161.81 29.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.56 -29.05 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -80.17 -24.14 40.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 60.81 40.99 15.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -118.65 -35.84 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 141.24 51.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -107.2 165.16 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.755 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.2 mm -115.05 145.61 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -115.82 115.02 25.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -131.53 134.13 45.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.13 153.38 24.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -57.99 -50.28 73.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -31.43 58.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.37 -27.0 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.477 ' CZ ' HD11 ' A' ' 56' ' ' LEU . 17.9 t80 -79.85 108.74 13.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -88.61 100.26 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.08 -158.73 28.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -85.65 60.43 6.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.57 -27.19 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.71 -32.93 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 36.99 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.527 ' HB3' HD11 ' A' ' 26' ' ' LEU . 7.0 mt -90.09 163.48 14.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -138.9 167.53 21.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 23' ' ' VAL . 37.2 mt -80.58 129.5 34.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.23 -21.95 30.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.62 134.0 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtm -72.0 150.66 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.37 145.37 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.44 140.75 37.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -155.39 177.52 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.14 166.93 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.6 mt -121.33 142.14 50.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.6 p -60.54 175.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -89.85 135.43 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.73 -151.81 17.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.477 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -147.41 125.29 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.69 -173.03 13.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.529 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.35 112.5 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 tptm 61.09 99.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.4 t -91.34 146.79 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 p -103.7 158.21 16.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.755 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.0 143.07 26.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -123.97 131.79 53.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 59.79 69.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.18 142.93 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -144.89 136.35 25.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.78 125.52 24.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.657 HG21 HD21 ' A' ' 20' ' ' LEU . 7.8 t -119.25 142.88 47.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -126.25 -48.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.32 -174.88 36.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -28.16 25.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.8 p -66.47 -174.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.47 142.75 20.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.08 98.13 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.76 147.13 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.67 55.6 0.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -60.53 116.77 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.816 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -126.64 162.47 25.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.21 142.71 3.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -97.22 101.76 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.1 130.07 42.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.54 152.4 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.66 -161.34 27.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 56.46 34.08 23.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.337 . . . . 0.0 110.91 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.4 -51.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.47 34.43 15.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.64 122.82 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.54 -40.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.18 95.18 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -111.59 136.28 51.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -123.37 153.47 40.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 82' ' ' THR . 30.9 mt -121.3 156.21 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.53 -163.51 13.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -140.16 131.89 27.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG11 HD12 ' A' ' 26' ' ' LEU . 59.4 t -53.78 105.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.75 -46.45 14.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.9 m -142.46 133.17 25.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 HG11 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -123.8 112.25 17.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -105.69 -178.28 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.58 46.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.27 -44.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -144.0 164.59 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.25 178.18 18.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -136.88 139.72 41.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.6 mt -112.95 128.44 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -100.56 119.33 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 p -68.84 172.87 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.83 -36.07 78.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -71.93 -24.07 61.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.9 m80 57.98 37.15 26.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.33 -26.74 7.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.62 151.58 42.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -117.0 155.03 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.3 mm -113.87 147.05 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -119.06 109.17 15.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 43.0 p90 -124.73 131.98 53.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.48 148.28 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.54 -44.89 73.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.8 p -58.22 -29.62 65.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -77.18 -26.57 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -77.47 119.2 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 t -98.56 93.8 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.97 -147.12 14.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -101.65 71.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.827 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.97 -28.96 44.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.86 -32.27 67.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -78.51 -27.24 46.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.32 159.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -142.68 -174.75 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 mt -84.67 126.61 33.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.81 -27.48 16.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.466 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.92 161.74 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.319 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.3 mtm -99.05 156.38 16.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 m -149.08 160.42 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.68 131.81 55.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.42 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 37.0 p90 -154.85 -179.41 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 p -141.25 164.58 29.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.681 HD22 ' CG1' ' A' ' 74' ' ' VAL . 79.5 mt -132.38 109.7 10.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.87 133.69 35.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 tttp 61.3 94.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.95 -42.69 59.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -60.06 127.65 32.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 142.64 -139.74 9.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -153.07 -51.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.98 92.23 7.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.681 ' CG1' HD22 ' A' ' 66' ' ' LEU . 61.5 t -110.28 136.23 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.9 163.52 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.777 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -94.64 128.35 41.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.58 132.51 52.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm 57.37 74.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.17 142.65 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -149.12 147.93 29.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.53 134.44 45.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.405 HG21 HD21 ' A' ' 20' ' ' LEU . 11.6 t -119.72 -32.45 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.5 t 58.03 -176.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -95.56 -171.87 36.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 166.93 25.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.304 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.4 t -126.89 110.1 12.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m 62.43 32.45 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 m -153.25 172.52 16.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.65 179.13 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.69 -157.2 23.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -131.22 -177.25 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.868 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -147.27 -69.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.04 83.63 1.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.23 105.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mp -99.99 122.55 43.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.36 173.93 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.84 149.77 21.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -136.06 71.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -158.16 99.93 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.19 136.86 43.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -77.99 77.1 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -67.42 164.44 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.88 159.56 44.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -124.28 147.97 47.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -142.51 165.16 28.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 82' ' ' THR . 90.2 mt -128.86 160.72 31.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.43 -158.53 9.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -142.49 132.11 23.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.413 HG11 HD12 ' A' ' 26' ' ' LEU . 82.5 t -58.34 104.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . . . -77.71 -51.16 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.2 m -142.97 135.52 27.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD12 HG11 ' A' ' 23' ' ' VAL . 3.5 mt -123.93 109.68 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -97.25 -171.23 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -97.38 45.07 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -177.21 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -148.02 161.9 40.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.04 179.02 17.53 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -137.56 147.48 45.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -118.55 126.82 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.2 tt0 -94.84 135.24 36.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -79.23 165.15 23.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.29 -33.88 69.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -77.34 -24.15 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 61.77 32.54 18.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -104.53 -28.03 11.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.21 176.29 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -135.2 163.98 28.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' A' ' 76' ' ' ALA . 33.8 mm -126.9 146.53 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -124.0 117.25 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -133.74 135.26 43.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.1 153.58 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -57.35 -36.32 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.9 p -66.3 -27.85 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -75.79 -26.67 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -80.12 130.11 34.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.43 105.27 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.78 -146.47 17.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -96.89 79.0 2.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.44 -25.55 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -71.35 -35.32 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.97 -28.71 62.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.17 152.11 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -139.45 -173.64 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.7 mt -83.21 122.55 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.18 -32.51 6.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.17 148.28 11.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.4 mtm -84.13 152.95 24.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.0 m -146.97 152.13 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.13 129.14 46.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -153.46 179.24 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.4 ' O ' HD23 ' A' ' 66' ' ' LEU . 37.5 m -151.61 169.59 21.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 65' ' ' SER . 39.0 mt -126.57 144.27 50.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 p -71.13 -171.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.69 143.45 42.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.76 -154.15 16.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.31 46.49 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 108.14 3.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m120 61.21 179.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 163.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.2 t -90.1 140.31 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 p -143.58 159.36 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.454 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.54 160.59 14.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -138.9 137.28 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.8 mttt 52.84 62.23 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.6 t -81.93 146.42 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -150.75 135.99 17.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 145.26 31.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.556 HG21 HD22 ' A' ' 20' ' ' LEU . 4.6 t -130.94 160.74 33.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.86 -44.6 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 95.02 171.49 36.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 117.32 5.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 m -163.44 123.46 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.67 125.38 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -81.58 179.4 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.95 143.18 28.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.14 -84.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 57.19 65.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -43.49 60.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.22 62.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.79 173.61 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.2 176.25 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -135.17 65.22 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.87 61.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -84.98 176.66 8.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -171.42 98.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.18 122.46 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.39 50.48 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 m -129.52 137.18 50.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -160.13 89.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.89 135.15 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.1 mt -135.96 157.6 46.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.9 mt -122.56 149.67 43.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.95 179.1 24.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -123.05 128.82 50.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' A' ' 26' ' ' LEU . 61.8 t -60.7 100.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.52 -43.13 50.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.3 m -152.96 142.53 21.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD1' HG11 ' A' ' 23' ' ' VAL . 5.8 mt -127.5 119.08 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -102.91 -173.62 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -96.17 38.32 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.64 -46.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -146.58 145.31 30.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.9 173.81 17.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -130.56 142.23 50.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.4 mt -117.78 136.08 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -100.8 132.01 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.9 p -77.61 153.85 32.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.49 69.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -71.41 -24.17 62.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 62.84 81.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -160.12 -41.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.91 143.55 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.34 170.1 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.683 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.9 mm -122.22 148.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -121.74 113.82 20.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -127.16 132.47 50.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -81.55 146.02 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -54.19 -38.77 65.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -64.89 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -77.61 -26.71 50.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -77.0 140.95 40.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.14 99.59 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.04 50.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 62.61 90.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.9 p -89.47 -27.91 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -75.44 -30.31 59.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t -73.17 -27.54 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -53.38 161.61 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.1 177.12 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.18 128.66 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.88 -25.09 28.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.65 148.24 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.338 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.2 mtm -90.55 143.59 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.26 165.98 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -122.37 138.56 54.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -153.33 172.95 16.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p -128.1 171.9 11.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.3 mt -129.88 152.58 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.05 134.64 14.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.1 146.65 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.62 -159.13 31.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 104.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.58 132.71 3.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -79.04 -47.98 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -60.23 165.72 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.65 132.83 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.09 165.69 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.683 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -92.11 167.62 11.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.94 141.1 18.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt 57.21 39.88 28.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.94 141.43 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -153.37 136.62 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.46 152.4 18.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -146.77 150.72 35.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.9 m -85.55 91.78 8.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.17 -179.31 45.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 124.34 11.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.55 -65.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.0 t -87.76 115.0 24.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.4 94.97 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.831 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -103.67 158.75 16.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.795 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.38 171.91 23.65 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -129.76 103.48 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.32 175.82 8.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.93 -148.6 19.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.71 150.98 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.03 -36.83 7.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.6 mt 57.94 179.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.86 -131.47 0.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -133.48 96.01 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.365 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -82.33 117.54 22.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 t -95.54 105.04 16.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.67 150.68 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.37 34.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.22 155.06 18.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.74 133.01 21.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.7 mt -144.91 148.18 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD21 HG21 ' A' ' 82' ' ' THR . 40.0 mt -111.15 173.86 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.38 -157.05 13.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -144.51 128.21 17.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.93 104.89 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.67 -53.68 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -144.11 139.38 28.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -120.62 101.92 8.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -85.59 -174.35 5.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.85 38.5 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -167.23 -43.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -150.32 148.2 28.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.75 169.98 13.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -126.11 152.49 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.0 mt -132.49 118.07 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.72 120.69 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.2 p -60.23 168.13 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.29 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -78.44 -24.09 46.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 62.27 33.67 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.71 -34.79 8.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.22 149.64 47.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.58 157.36 17.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.6 mm -116.77 148.47 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -127.73 114.82 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -126.79 141.1 51.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.28 154.27 19.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.49 -39.62 88.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.51 -27.97 68.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.22 -26.47 52.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -77.68 128.85 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.16 114.15 27.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.37 -119.23 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.46 90.32 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.2 p -82.28 -27.67 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -38.88 67.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -27.17 62.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.47 158.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -136.99 -174.69 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -86.39 125.22 33.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.66 -28.03 16.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.466 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.86 150.56 7.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.323 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.9 mtm -86.35 148.49 25.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' HD23 ' A' ' 20' ' ' LEU . 11.3 m -148.13 158.89 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -110.26 141.25 43.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -160.45 168.42 25.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -132.99 169.34 16.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.0 mt -120.69 149.21 42.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.9 t -102.96 154.64 19.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -81.9 147.4 29.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.95 179.14 27.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.426 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.02 115.43 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 145.79 129.08 2.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.18 169.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -63.59 161.91 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.4 t -86.75 141.86 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.29 166.36 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.577 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.97 169.93 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -151.95 142.77 22.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 55.42 44.95 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.78 136.89 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -140.81 148.71 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.32 132.42 43.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.469 HG21 HD21 ' A' ' 20' ' ' LEU . 9.2 t -129.5 39.4 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.31 81.74 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 169.96 172.09 36.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -36.63 10.54 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.49 125.07 28.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.1 p -128.73 34.41 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.495 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.8 -171.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 53.01 41.35 32.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 141.7 25.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 m -78.17 158.22 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -83.39 169.64 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.47 100.88 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -154.01 55.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.33 30.0 17.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.0 tp -55.85 -45.28 78.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.85 37.19 10.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -129.82 -55.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 54.2 35.6 22.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m 60.05 92.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -92.93 108.26 19.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 t -82.17 -58.97 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.543 ' CE ' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -170.15 -47.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 57.59 88.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' CE ' ' A' ' 17' ' ' LYS . 12.2 mt -121.8 131.44 54.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.64 HD21 HG21 ' A' ' 82' ' ' THR . 9.0 mt -103.39 153.65 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.2 -173.77 22.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -131.25 133.92 45.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.2 t -52.77 122.01 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.8 -40.49 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.8 m -156.3 128.92 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.96 104.57 11.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -93.68 -172.88 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -95.63 41.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -174.48 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -153.4 168.79 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -144.48 176.65 23.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.533 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -130.08 149.36 51.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -118.35 137.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.05 137.74 35.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.7 p -84.16 165.21 18.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.0 -31.78 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -86.82 -24.15 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 60.49 47.91 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.09 -26.99 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -123.71 160.5 27.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.04 151.21 28.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.627 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.2 mm -116.42 148.23 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -129.48 120.58 25.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -133.24 135.94 45.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.58 145.52 31.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -56.43 -32.96 65.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.0 t -70.78 -27.17 63.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.88 -27.0 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -76.75 129.92 36.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -110.65 108.68 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 142.72 -134.33 5.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -110.06 82.32 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.51 -26.5 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.24 -31.39 60.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.2 p -77.93 -27.37 49.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.46 157.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.41 -179.94 6.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.6 mt -77.45 124.42 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.59 -24.4 19.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.51 159.37 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.7 mtm -99.83 149.38 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 m -144.91 146.86 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -100.12 132.81 45.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.443 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 50.3 p90 -150.77 175.19 12.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 m -135.52 165.94 24.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.614 HD22 ' CG2' ' A' ' 74' ' ' VAL . 62.4 mt -130.44 154.13 48.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.9 m -119.15 92.48 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 -176.56 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.6 62.21 0.5 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.446 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.21 98.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 160.73 122.84 0.65 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.488 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -81.15 -177.5 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tptt 61.81 93.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.614 ' CG2' HD22 ' A' ' 66' ' ' LEU . 14.9 p -90.46 136.92 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.27 156.32 42.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.627 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.04 138.78 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -121.38 141.17 51.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm 52.63 63.17 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 36.0 t -81.92 141.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -152.22 132.49 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 137.78 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.64 HG21 HD21 ' A' ' 20' ' ' LEU . 8.1 t -118.54 -31.01 5.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.3 m 55.51 72.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.44 -166.94 12.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.98 51.39 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -76.44 -66.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 m -113.22 -73.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.42 167.54 29.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.54 162.15 40.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.78 -108.62 0.64 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m 53.21 29.84 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -77.93 -34.91 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.29 138.19 4.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -132.47 65.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 53.02 80.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.94 138.56 57.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.02 -162.29 14.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -95.06 -34.21 12.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m120 54.46 90.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 m -111.53 66.03 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -156.18 27.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -124.92 102.0 7.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.29 155.76 16.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.46 148.75 29.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -130.86 155.28 47.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.5 mt -107.22 171.54 7.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.978 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.94 -178.28 41.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -133.47 138.53 46.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.958 0.408 . . . . 0.0 110.917 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.58 111.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.82 -36.8 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 m -147.4 136.49 22.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -127.43 99.77 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -95.2 174.9 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -88.76 50.47 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -178.6 -42.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -150.12 149.16 29.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.86 -176.92 21.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -143.13 138.0 29.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.8 mt -123.28 129.68 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.64 129.32 45.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.8 p -70.22 166.39 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.83 -29.09 69.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -75.22 -24.08 57.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 59.76 39.44 20.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.71 -33.16 5.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.33 156.61 42.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.12 150.52 33.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.671 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.1 mm -105.41 147.39 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -124.99 112.48 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -125.22 136.01 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -85.2 151.11 24.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.459 ' CD2' HG11 ' A' ' 53' ' ' VAL . 2.8 m-85 -56.88 -27.06 60.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -33.28 65.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -74.61 -26.27 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.28 138.86 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -116.28 100.44 7.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.68 -147.52 18.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -99.05 75.63 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.459 HG11 ' CD2' ' A' ' 46' ' ' TYR . 7.3 p -61.19 -27.14 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -36.07 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -27.03 65.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.99 160.04 3.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -150.12 179.46 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.8 mt -76.36 118.95 19.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.93 16.14 11.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -105.85 151.49 24.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.773 0.32 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtm -90.16 150.67 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.3 m -150.31 153.9 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -110.34 138.43 46.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -152.16 175.77 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.03 166.48 24.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.649 HD22 ' CG1' ' A' ' 74' ' ' VAL . 85.0 mt -117.59 153.82 32.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -114.71 79.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt 53.52 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.96 94.58 1.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -154.4 62.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -150.75 -117.55 0.8 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -115.71 -44.66 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -134.6 149.11 50.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.649 ' CG1' HD22 ' A' ' 66' ' ' LEU . 92.2 t -119.63 138.81 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 p -122.72 173.5 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.671 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -107.21 153.33 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.44 140.16 37.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt 61.24 50.47 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.9 t -79.18 130.24 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -142.06 142.3 32.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.37 153.91 14.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 t -152.22 40.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.6 m -73.61 114.05 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 148.6 168.85 14.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.65 34.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.4 m 61.29 86.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.06 89.11 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 t 62.63 164.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.393 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.18 152.78 22.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.75 56.46 0.76 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.21 147.58 50.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -82.76 143.18 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.59 172.68 38.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 60.31 94.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -55.89 150.11 13.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mp -104.91 108.12 19.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.34 -20.01 16.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 55.11 51.66 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -156.57 29.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -40.12 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -96.24 43.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.83 159.3 32.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.57 146.71 16.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -110.96 77.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.2 mt -107.01 134.28 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 62' ' ' VAL . 12.4 mt -102.84 164.24 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.76 -164.77 20.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.45 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -144.53 140.12 28.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.44 125.18 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.69 -33.22 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -152.53 136.32 16.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.6 mt -123.83 99.6 6.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -96.99 178.43 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.19 45.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -173.21 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -152.95 165.56 35.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.7 177.42 18.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -135.32 147.53 49.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.28 127.06 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -94.72 148.55 22.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -96.15 164.04 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.53 -29.38 58.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -83.58 -24.16 31.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 59.79 41.62 17.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -111.97 -29.49 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -133.17 142.57 48.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -104.81 160.22 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.732 HG21 ' HB2' ' A' ' 76' ' ' ALA . 26.5 mm -112.52 148.46 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -121.93 115.73 23.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 40.6 p90 -130.65 137.73 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.78 153.96 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -59.9 -30.27 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -29.48 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -77.34 -26.35 51.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -79.99 123.15 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.4 t -106.45 93.05 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.88 -152.32 22.94 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.33 68.87 9.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.33 -27.54 37.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -77.05 -28.35 54.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.75 27.81 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 26' ' ' LEU . 6.9 mt -89.9 162.39 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -140.16 174.29 10.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 mt -84.97 136.71 33.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.3 16.14 57.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.44 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.72 160.07 14.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.764 0.316 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.7 mtm -98.78 144.51 27.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.714 ' HA ' HG22 ' A' ' 82' ' ' THR . 9.5 m -148.54 168.47 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.95 140.09 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.427 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 47.5 p90 -157.35 177.28 11.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 m -149.06 160.56 43.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.668 HD22 ' CG1' ' A' ' 74' ' ' VAL . 83.2 mt -107.78 121.8 45.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 t -59.6 119.89 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.61 123.82 32.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 142.9 -47.96 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -96.56 119.55 35.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.47 32.43 7.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.513 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -111.77 -59.3 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -119.78 120.76 37.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.668 ' CG1' HD22 ' A' ' 66' ' ' LEU . 65.8 t -102.38 126.54 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.26 171.06 15.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.732 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -90.59 148.27 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -129.6 131.84 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt 55.34 67.21 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.3 t -83.12 143.01 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -142.13 150.62 41.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.1 153.3 43.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.714 HG22 ' HA ' ' A' ' 62' ' ' VAL . 7.2 t -155.93 146.85 22.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 p -172.45 -68.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -176.75 173.82 46.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 156.87 62.19 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.292 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.4 t -71.17 117.91 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 167.71 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m -92.95 56.55 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t -110.66 104.78 13.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.64 121.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.63 -178.59 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -115.6 71.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.94 70.9 1.26 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -168.6 98.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.48 174.52 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -30.76 70.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.17 168.78 19.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.533 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -140.7 -45.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -78.82 135.18 36.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m -83.06 -67.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 t30 58.31 39.49 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -106.66 153.57 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -140.98 160.57 39.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -82.39 128.33 34.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mt -117.13 146.09 43.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 mt -110.74 174.57 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.22 -179.13 42.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -134.46 125.5 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 110.942 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.9 t -52.61 111.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.7 -38.61 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -150.08 139.82 21.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.39 105.02 9.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -91.78 -172.16 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -100.56 40.97 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.48 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -151.98 150.28 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.82 176.21 17.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -131.93 142.98 49.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -120.46 129.3 75.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -101.41 120.86 40.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.8 p -67.08 167.91 11.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.25 -26.58 68.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -80.68 -24.16 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 62.63 41.4 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -114.8 -42.07 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -126.21 145.27 50.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -108.67 167.72 9.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.823 HG21 ' HB2' ' A' ' 76' ' ' ALA . 32.5 mm -116.62 145.88 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -117.07 109.17 16.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -120.32 138.0 53.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.48 144.42 27.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -53.89 -32.08 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -34.12 73.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -74.77 -26.37 59.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.434 ' CE2' HG12 ' A' ' 79' ' ' VAL . 27.5 t80 -76.41 139.49 40.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.57 108.64 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.05 -169.38 22.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.4 81.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.11 -31.87 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.1 -27.99 63.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 p -78.1 -27.15 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -52.63 154.43 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -142.62 -174.49 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.93 126.35 31.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.47 16.11 25.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.9 141.31 36.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.5 mtm -80.69 141.7 34.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.33 156.01 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -106.39 149.26 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -165.07 179.16 6.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p -149.41 170.7 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.657 HD22 HG12 ' A' ' 74' ' ' VAL . 74.0 mt -128.99 142.62 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.21 147.68 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 61.75 170.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.68 -70.46 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 124.41 20.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 155.81 -162.96 31.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -138.29 45.14 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -173.22 119.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.657 HG12 HD22 ' A' ' 66' ' ' LEU . 45.7 t -140.46 142.45 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.45 178.72 8.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -91.24 167.76 12.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.098 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.77 134.58 16.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 57.25 51.55 10.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.434 HG12 ' CE2' ' A' ' 49' ' ' PHE . 36.2 t -72.16 134.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -147.41 142.26 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 135.56 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.6 t -132.92 135.11 45.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 99.1 p -163.96 41.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.03 168.21 40.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 114.68 3.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.232 . . . . 0.0 112.284 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.56 146.33 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -34.59 17.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -168.02 83.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -156.79 174.23 15.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.47 40.48 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.84 99.04 8.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.93 133.22 35.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.42 -51.32 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -153.54 113.96 3.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.33 147.68 52.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.74 86.47 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.27 -22.81 6.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.47 39.51 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 57.22 82.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -97.34 58.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.02 163.23 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.9 p -137.84 140.18 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.58 125.26 51.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.97 125.26 26.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 mt -100.94 174.51 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.553 HD21 HG21 ' A' ' 82' ' ' THR . 22.4 mt -130.5 165.89 21.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.92 -174.78 38.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -130.23 141.88 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.72 HG12 HD23 ' A' ' 58' ' ' LEU . 43.2 t -60.87 112.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.63 -42.95 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -157.3 124.09 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.603 HD12 HG11 ' A' ' 23' ' ' VAL . 1.6 mt -111.08 115.15 28.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -102.41 -173.45 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.14 37.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.41 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -135.21 164.84 26.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.6 174.93 21.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -136.59 144.53 44.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.842 0.353 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 60.1 mt -117.96 125.11 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -87.6 119.32 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 p -61.65 169.39 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.32 -31.2 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -84.51 -24.15 29.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.8 m80 62.47 48.7 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -116.23 -28.15 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -121.1 177.91 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -134.56 124.07 24.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.609 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.6 mm -85.31 147.42 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -124.88 111.6 15.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -126.68 135.93 51.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -85.24 145.46 27.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -52.83 -45.69 67.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -29.35 68.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -75.77 -26.31 57.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -76.61 135.9 39.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.31 97.98 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.74 49.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 54.63 75.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.1 p -69.72 -26.4 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -28.21 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 m -79.86 -27.8 40.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -52.43 159.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -159.41 153.01 22.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.72 HD23 HG12 ' A' ' 23' ' ' VAL . 15.1 mt -54.68 126.4 23.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.39 16.05 14.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -117.1 150.78 38.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.9 mtm -84.83 146.59 27.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 m -139.6 151.1 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -110.74 130.09 55.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -149.42 173.24 13.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -139.12 172.99 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.0 mt -130.61 137.45 49.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -169.45 -172.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.53 93.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.96 149.47 22.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -131.42 63.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.64 -139.27 2.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -95.53 172.69 7.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.4 mttt 59.42 74.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -111.32 143.06 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.44 175.31 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.609 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -89.93 165.5 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -139.77 128.6 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp 54.01 68.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.53 137.67 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -149.61 141.16 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.41 161.21 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.553 HG21 HD21 ' A' ' 20' ' ' LEU . 8.8 t -156.76 156.37 33.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.15 126.65 28.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.65 168.72 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -24.23 30.0 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.68 125.02 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -108.08 131.32 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -139.62 138.18 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 m -90.57 169.89 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.1 110.22 2.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -34.71 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -172.34 101.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.3 108.39 0.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.88 164.9 7.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.78 141.07 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.61 109.76 16.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.21 -149.44 4.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.82 26.85 16.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -133.4 147.01 51.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.4 t -131.19 43.38 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -63.86 174.71 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m 54.27 31.01 13.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -135.09 70.81 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -83.89 130.2 34.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 mt -114.54 143.55 44.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mt -105.56 158.11 16.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.95 179.76 37.1 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -131.37 138.05 48.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.85 109.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.78 -45.85 16.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 m -145.92 143.59 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.3 mt -126.02 101.21 6.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -89.95 -172.14 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.3 43.82 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -176.42 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -155.95 150.41 25.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.77 -174.28 19.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -137.1 150.43 47.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.533 HG21 ' CE1' ' A' ' 64' ' ' TYR . 72.0 mt -125.6 120.34 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.75 130.07 35.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.8 p -74.29 161.56 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.95 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.34 -24.12 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 63.19 73.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.91 -47.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.37 145.08 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -107.6 156.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.711 HG21 ' HB2' ' A' ' 76' ' ' ALA . 27.1 mm -102.51 147.85 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -111.55 118.19 35.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -131.05 138.72 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.07 152.09 21.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -57.86 -35.7 71.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.8 m -66.86 -31.43 72.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.04 -26.88 59.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -79.56 139.51 37.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.16 102.21 8.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.19 -151.18 23.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -91.13 71.38 6.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.46 HG23 HD12 ' A' ' 56' ' ' LEU . 12.3 p -74.08 -25.62 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.68 -27.49 61.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.11 27.99 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.53 ' HB3' HD11 ' A' ' 26' ' ' LEU . 5.5 mt -79.13 157.7 27.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.63 160.07 34.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.16 144.31 44.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.66 16.08 74.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.1 150.17 22.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.79 0.328 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.5 mtm -86.69 137.32 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 m -142.19 155.77 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -114.34 142.63 46.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' HG21 ' A' ' 33' ' ' ILE . 47.3 p90 -161.68 170.76 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -119.25 172.69 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.44 HD22 ' CG1' ' A' ' 74' ' ' VAL . 98.2 mt -130.75 124.99 32.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.31 167.33 18.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.95 139.39 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.83 -75.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 -39.9 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.334 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.62 -35.27 4.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -66.09 -38.96 89.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.13 159.35 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.44 ' CG1' HD22 ' A' ' 66' ' ' LEU . 40.9 t -112.1 133.81 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.75 170.05 10.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.711 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -102.05 157.64 16.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.37 127.27 29.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? 59.65 72.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.0 t -90.73 145.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.41 149.69 28.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -68.06 143.65 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 t -140.38 38.58 1.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.21 164.98 17.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.89 171.81 55.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -23.83 30.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.9 126.5 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -55.21 121.57 9.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.446 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.54 163.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -138.28 -43.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.18 178.45 26.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.84 -174.11 3.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -160.94 157.6 26.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.8 -85.7 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.31 -175.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -168.3 129.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.88 143.61 46.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.87 104.96 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.2 -47.16 65.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.54 98.23 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.2 154.75 30.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -148.08 129.79 15.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -68.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -176.03 129.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -101.93 83.3 2.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mt -90.66 150.47 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.453 HD21 HG21 ' A' ' 82' ' ' THR . 10.9 mt -105.0 171.64 7.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.27 -175.21 37.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.45 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -137.09 128.19 27.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.3 119.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.09 -30.93 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 m -154.36 132.15 11.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.423 HD11 ' HB3' ' A' ' 56' ' ' LEU . 1.7 mt -125.18 104.31 8.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -99.7 -173.33 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -98.2 46.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -176.7 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -152.57 165.2 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.76 177.46 18.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -131.8 150.31 52.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.7 mt -130.05 112.17 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.65 123.19 31.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.1 p -67.87 165.85 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.48 -26.64 65.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.068 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -80.66 -24.2 39.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.9 m80 59.46 31.86 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -108.33 -29.11 9.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -127.3 139.91 52.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -100.74 160.24 14.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.649 HG21 ' HB2' ' A' ' 76' ' ' ALA . 30.0 mm -121.46 147.63 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -127.0 112.92 15.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -124.83 140.26 53.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.24 152.22 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -58.14 -42.11 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -31.78 69.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -75.92 -26.7 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -77.47 121.11 23.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.9 102.0 11.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.27 -133.77 4.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.08 87.46 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.46 -27.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.94 -43.24 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -62.79 -26.88 68.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.423 ' HB3' HD11 ' A' ' 26' ' ' LEU . 4.2 mt -52.3 154.32 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -148.45 156.95 43.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.88 122.28 14.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.31 16.08 14.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -108.18 167.37 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.1 mtm -99.57 146.5 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.8 m -149.77 142.99 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.53 143.07 31.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.505 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 53.9 p90 -153.48 179.77 8.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.51 159.77 40.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.8 mt -108.9 155.26 21.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.88 155.71 27.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -104.88 152.33 22.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -166.4 -104.69 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -145.37 29.49 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.27 -140.62 14.96 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 59.27 -174.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.09 167.85 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.5 t -132.16 131.24 61.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.08 154.69 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.649 ' HB2' HG21 ' A' ' 42' ' ' ILE . . . -93.56 141.81 28.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.4 143.24 49.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 53.45 68.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.62 147.74 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.42 149.05 18.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.19 165.72 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.453 HG21 HD21 ' A' ' 20' ' ' LEU . 12.9 t -162.8 155.75 19.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.86 179.92 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.85 168.27 16.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 101.29 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.262 . . . . 0.0 112.308 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.31 132.16 2.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -89.76 92.39 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.97 . . . . . . . . 0 0 . 1 stop_ save_