data_2kw4_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 2kw4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.777 0.322 . . . . 74.219999999999999 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -159.12 24.26 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 110.844 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -70.34 165.24 22.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.530000000000001 111.147 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -157.03 26.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 110.876 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -139.02 154.05 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 65.340000000000003 110.879 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -50.89 153.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 70.430000000000007 110.846 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -90.39 147.68 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.299999999999997 111.175 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -68.39 78.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 73.150000000000006 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -139.36 164.19 30.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 65.409999999999997 111.129 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 64.5 108.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 75.420000000000002 110.896 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.22 85.53 1.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 73.329999999999998 112.459 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 t -175.6 141.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 75.450000000000003 110.866 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -179.23 157.39 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.896 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 p -129.08 115.21 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.230000000000004 111.147 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 70.43 -70.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 72.319999999999993 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.84 23.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 53.549999999999997 112.474 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -175.65 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 71.109999999999999 110.907 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -129.0 134.66 48.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 73.019999999999996 110.927 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.15 150.78 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 74.049999999999997 111.059 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -120.81 130.6 54.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 73.230000000000004 110.903 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.18 165.55 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.061 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.84 163.91 29.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 71.109999999999999 110.919 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.75 126.6 53.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 74.420000000000002 111.092 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -109.12 140.06 43.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.530000000000001 110.888 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -143.43 129.41 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 74.349999999999994 111.087 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -124.55 134.26 53.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 110.918 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 t0 66.97 12.65 9.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 74.340000000000003 110.865 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.28 25.48 28.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 63.219999999999999 112.468 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -149.54 162.04 40.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 72.099999999999994 110.859 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.09 121.53 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 111.092 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -107.66 -46.04 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 64.549999999999997 110.841 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -130.21 177.31 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 71.310000000000002 110.896 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -179.36 103.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 75.430000000000007 110.942 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.92 145.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 65.310000000000002 110.855 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.59 -171.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 111.102 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -156.95 138.65 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.030000000000001 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.6 t -111.52 155.67 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 111.121 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.78 -147.24 19.67 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 72.019999999999996 112.491 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.4 -33.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 73.329999999999998 110.881 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -50.76 147.8 8.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.736 . . . . 72.310000000000002 110.896 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -46.21 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 71.420000000000002 112.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.56 -30.78 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 73.120000000000005 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.21 -17.38 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 73.019999999999996 111.08 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.56 19.29 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 72.549999999999997 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 t -125.97 -2.89 7.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 73.549999999999997 111.166 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.0 mmm -96.35 33.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.200000000000003 110.868 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 63.42 28.05 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.821 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 64.22 15.32 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 64.430000000000007 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.9 t -72.96 -42.86 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.450000000000003 111.133 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.93 -29.69 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.150000000000006 111.08 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.78 -43.44 59.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.340000000000003 112.469 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -55.03 -54.65 40.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.361 . . . . 74.510000000000005 110.865 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.72 -30.19 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.120000000000005 111.092 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.19 -46.45 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 111.124 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.18 -55.16 16.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.049999999999997 111.074 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.85 -29.8 21.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 111.056 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -69.79 -67.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.540000000000006 110.932 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -58.74 -23.27 59.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 71.209999999999994 110.964 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.54 96.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 61.329999999999998 111.088 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.8 t -76.28 -43.1 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.140000000000001 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -51.62 -47.92 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.540000000000006 110.894 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -76.66 -30.09 56.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.329999999999998 110.935 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.56 -31.78 37.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.019999999999996 111.116 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.4 t -76.06 -28.69 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 71.319999999999993 110.84 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -71.28 -41.01 70.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 74.239999999999995 110.895 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mp -81.96 0.67 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.540000000000006 110.946 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.63 17.03 47.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 65.049999999999997 112.481 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 m -105.2 -179.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 73.230000000000004 111.17 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.78 153.77 48.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 75.209999999999994 110.877 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -100.06 179.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 75.450000000000003 111.134 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 75.099999999999994 110.896 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.909 0.385 . . . . 73.120000000000005 110.906 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 55.7 -168.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 70.420000000000002 111.135 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.46 -25.36 74.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 73.010000000000005 112.469 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.19 -32.97 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.866 0.365 . . . . 70.239999999999995 111.171 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.62 -5.44 43.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.098 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -68.75 -57.88 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 71.299999999999997 110.877 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -16.57 46.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 75.510000000000005 110.953 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.03 -20.65 40.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 111.105 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 71.430000000000007 111.136 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.948 0.404 . . . . 71.329999999999998 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -26.89 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 71.239999999999995 111.172 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -45.1 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.140000000000001 110.927 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.1 -33.32 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 111.095 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -54.31 -54.42 40.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 73.340000000000003 110.914 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.76 -31.92 65.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.409999999999997 111.144 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -74.27 -48.67 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.319999999999993 110.908 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.19 -20.03 38.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.35 -66.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 60.5 110.872 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.23 -31.19 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 71.120000000000005 110.908 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -44.16 52.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 72.540000000000006 110.9 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -131.92 34.85 3.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 72.420000000000002 110.952 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -81.3 128.43 33.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 75.219999999999999 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.3 -21.03 0.41 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 72.420000000000002 112.468 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.02 -33.59 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 73.099999999999994 111.176 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -115.65 177.38 4.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 73.209999999999994 110.955 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -145.2 154.32 42.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 54.149999999999999 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.3 171.89 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 70.430000000000007 110.891 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.17 -173.25 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 110.88 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -77.24 124.25 27.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 74.510000000000005 110.925 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.52 105.36 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 72.099999999999994 111.174 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -67.72 -81.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.874 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -178.52 -174.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.030000000000001 111.101 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 60.8 t60 64.63 158.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 73.209999999999994 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.5 -176.37 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 70.310000000000002 110.847 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 142.39 91.58 0.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 64.530000000000001 112.462 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 t30 179.91 -167.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 73.010000000000005 110.911 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -105.32 9.4 33.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 110.921 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -51.24 -29.33 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.430000000000007 110.887 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -75.67 -39.98 56.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 75.530000000000001 110.87 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.35 -24.95 13.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 71.239999999999995 110.843 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.82 -36.78 59.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 110.926 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.8 m -57.27 -20.31 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 75.420000000000002 111.123 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.15 -50.71 70.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 75.230000000000004 110.909 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 7.4 ttp -72.45 -41.21 66.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -54.2 44.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 72.310000000000002 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.3 -33.96 55.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 73.310000000000002 111.149 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.42 -33.0 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 110.899 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.0 t -71.75 -32.68 67.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.150000000000006 110.889 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.85 23.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 62.32 111.098 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tt -52.94 -56.58 14.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 74.230000000000004 110.91 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 137.34 74.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 73.120000000000005 112.475 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 24.0 mm . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 75.319999999999993 111.154 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.799 0.333 . . . . 74.340000000000003 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -93.11 16.62 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 73.219999999999999 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -88.1 134.11 33.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 111.139 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -142.99 20.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 71.540000000000006 110.873 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -117.5 164.34 15.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 73.409999999999997 110.928 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -50.51 153.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.078 -0.51 . . . . 73.019999999999996 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.4 t -90.84 143.46 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 71.420000000000002 111.161 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -71.71 78.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 65.510000000000005 110.943 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 p -119.71 179.15 4.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.079 -0.51 . . . . 73.049999999999997 111.2 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.84 63.61 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.209999999999994 110.859 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.4 -110.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 74.239999999999995 112.469 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -172.02 145.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 74.040000000000006 110.836 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -51.97 168.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 75.519999999999996 110.892 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 p -140.25 110.63 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.211 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 70.26 -69.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 64.420000000000002 110.906 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.84 -36.71 0.07 OUTLIER Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.714 -0.755 . . . . 52.350000000000001 112.414 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.429 HE22 ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -83.19 -178.86 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 74.400000000000006 110.898 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -113.77 168.06 10.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 71.400000000000006 110.942 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.49 162.67 38.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 73.140000000000001 111.16 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.3 p-90 -141.66 130.57 23.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 75.019999999999996 110.913 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.72 169.13 14.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 72.400000000000006 111.088 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.05 169.98 22.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 73.099999999999994 110.917 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.52 125.12 53.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 111.146 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -111.74 138.4 48.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 75.400000000000006 110.897 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 t -144.65 129.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 72.420000000000002 111.091 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -127.64 137.37 52.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 71.299999999999997 110.836 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 67.91 11.96 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 64.129999999999995 110.851 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.06 22.06 36.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 62.340000000000003 112.489 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.58 157.48 43.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 75.420000000000002 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -54.95 123.12 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.420000000000002 111.095 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -106.75 -44.97 4.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 110.839 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -130.38 174.99 9.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 74.510000000000005 110.906 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -177.81 105.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 73.430000000000007 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.79 159.33 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 72.430000000000007 110.908 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.83 175.08 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 64.549999999999997 111.072 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -153.84 170.68 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 71.25 110.913 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.5 m -123.4 157.83 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 111.113 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' N ' HE22 ' A' ' 19' ' ' GLN . . . -92.31 -155.79 32.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 64.219999999999999 112.532 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.98 33.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 75.040000000000006 110.922 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -105.13 154.28 38.92 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 74.099999999999994 110.924 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.685 2.256 . . . . 71.329999999999998 112.286 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.7 -18.32 65.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 111.092 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.47 -36.26 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 73.310000000000002 111.157 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.31 -41.7 80.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 64.099999999999994 111.148 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 t -59.42 -20.82 57.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 111.086 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 mmt -83.34 1.45 41.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.010000000000005 110.917 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 62.06 -86.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 75.140000000000001 110.865 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -134.14 3.5 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 72.329999999999998 110.853 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.1 t -73.27 -39.71 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 72.409999999999997 111.105 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.73 -47.19 61.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 60.439999999999998 111.092 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.39 -20.73 38.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 64.099999999999994 112.556 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.83 -55.45 8.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 73.430000000000007 110.92 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.0 mt -75.06 -30.51 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 75.040000000000006 111.086 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.38 -33.46 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 111.085 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.98 83.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.239999999999995 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.39 -29.27 23.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 111.142 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.32 -66.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 62.109999999999999 110.923 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 75.329999999999998 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.78 98.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.5 111.057 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.1 t -76.26 -47.27 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.209999999999994 111.13 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -51.61 -44.59 62.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.450000000000003 110.845 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -75.24 -30.79 60.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 73.530000000000001 110.847 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.18 -36.24 40.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 64.409999999999997 111.087 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -70.47 -29.84 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 60.329999999999998 110.855 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -73.92 -40.62 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 72.420000000000002 110.908 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.63 -8.78 58.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 61.399999999999999 110.88 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.71 35.13 37.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 40.340000000000003 112.524 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.4 m -110.12 -30.29 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 72.519999999999996 111.186 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.5 -174.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.5 110.857 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.1 pt -136.05 179.48 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 63.409999999999997 111.122 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.209999999999994 110.925 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.923 0.392 . . . . 74.5 110.942 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 50.22 -167.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 63.539999999999999 111.11 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.43 -8.83 63.44 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 72.030000000000001 112.461 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.9 mm -75.59 -46.14 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 73.200000000000003 111.165 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.33 -21.08 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.140000000000001 111.158 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -63.8 -55.58 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 74.0 110.828 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -24.22 38.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 74.010000000000005 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.09 -28.3 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 71.439999999999998 111.149 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 111.181 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.959 0.409 . . . . 74.319999999999993 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -25.93 28.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 75.299999999999997 111.22 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.02 -47.11 44.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 75.140000000000001 110.891 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.23 94.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 74.230000000000004 111.083 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -53.02 -33.7 52.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 73.140000000000001 110.886 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.33 -29.16 63.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.430000000000007 111.118 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -74.2 -44.84 51.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 75.030000000000001 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.35 -19.91 39.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.150000000000006 110.893 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.3 ttt -53.42 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.430000000000007 110.89 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -55.47 -33.46 63.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.010000000000005 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -49.25 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 73.219999999999999 110.914 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -115.29 30.29 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.409999999999997 110.93 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -85.49 127.07 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.526 . . . . 75.420000000000002 110.956 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 155.68 -20.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 55.109999999999999 112.458 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.1 -33.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 75.549999999999997 111.125 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -118.92 177.82 4.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 75.209999999999994 110.948 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.48 141.62 23.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 64.540000000000006 110.922 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -154.75 172.16 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 75.230000000000004 110.867 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 154.97 36.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 71.340000000000003 110.918 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -51.21 132.68 28.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.299999999999997 110.92 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.57 145.99 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 75.219999999999999 111.185 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -135.43 -76.95 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 62.210000000000001 110.917 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -177.64 133.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.439999999999998 111.108 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -174.93 155.85 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.864 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.7 p -50.55 167.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 53.549999999999997 110.942 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -108.35 -165.88 21.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 62.450000000000003 112.502 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -179.31 -168.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.321 . . . . 72.230000000000004 110.843 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -83.38 2.7 35.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 71.299999999999997 110.985 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -53.21 -29.99 35.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 75.019999999999996 110.893 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -73.53 -38.23 65.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 72.5 110.897 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.4 -24.93 21.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 74.329999999999998 110.88 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.27 -34.18 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 75.329999999999998 110.861 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.0 m -55.24 -24.35 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 111.126 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -56.59 -52.35 65.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.310000000000002 110.847 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -41.12 66.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.310000000000002 110.817 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.29 65.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 74.319999999999993 110.907 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.33 -36.57 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.0 111.171 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -52.55 -31.21 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.019999999999996 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 m -76.38 -35.02 58.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.340000000000003 110.885 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.42 -31.49 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 74.310000000000002 111.076 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.63 -51.49 10.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.349999999999994 110.904 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 115.95 41.14 0.79 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.706 -0.759 . . . . 75.209999999999994 112.451 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.9 mm . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.814 0.34 . . . . 65.329999999999998 111.168 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.82 0.343 . . . . 74.120000000000005 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -158.74 27.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 71.109999999999999 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 p -63.26 -76.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.019999999999996 111.158 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 63.81 16.5 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -134.73 154.0 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.976 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -51.23 151.62 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 110.844 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.2 t -91.39 142.78 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 75.299999999999997 111.154 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -71.48 79.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 74.340000000000003 110.927 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.3 p -116.14 173.33 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.134 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.16 157.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 73.510000000000005 110.867 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.13 146.95 8.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 62.43 112.471 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -169.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.358 . . . . 74.239999999999995 110.831 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -147.35 -70.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 74.109999999999999 110.89 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.94 131.01 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.010000000000005 111.069 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 45.73 -156.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.219999999999999 110.899 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.93 50.22 4.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 74.329999999999998 112.47 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -179.2 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 73.409999999999997 110.831 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -125.99 135.45 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.310000000000002 110.971 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.54 173.05 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.530000000000001 111.094 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 28.8 p90 -139.34 130.62 26.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.848 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.79 165.38 23.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.019999999999996 111.077 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.81 167.93 24.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 71.209999999999994 110.924 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.18 125.36 54.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 73.140000000000001 111.073 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -112.34 138.18 49.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 74.5 110.921 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -145.31 128.02 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 75.299999999999997 111.143 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.69 135.78 54.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.921 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.16 12.51 9.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 110.924 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.24 24.23 32.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 65.049999999999997 112.498 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -149.42 159.87 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 74.540000000000006 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.95 122.15 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 73.239999999999995 111.087 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -107.71 -45.06 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 73.140000000000001 110.865 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.11 -175.74 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 73.439999999999998 110.915 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -174.72 -168.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 73.019999999999996 110.827 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 65.26 153.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 64.230000000000004 110.876 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.33 -169.5 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.019999999999996 111.087 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -142.3 138.56 31.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.409999999999997 110.897 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.3 t -101.77 155.22 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 72.5 111.147 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -124.09 163.06 17.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.717 -0.754 . . . . 53.100000000000001 112.45 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 48.06 1.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 74.209999999999994 110.844 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -90.02 154.63 47.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.536 0.684 . . . . 75.109999999999999 110.945 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -48.33 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.676 2.251 . . . . 71.510000000000005 112.375 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.59 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 111.084 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.57 -52.57 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.319999999999993 111.118 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.1 93.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 111.139 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.7 t -58.14 -21.92 48.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 75.200000000000003 111.185 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.83 15.73 14.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 71.409999999999997 110.865 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 69.72 -73.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.230000000000004 110.774 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -164.3 23.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 75.299999999999997 110.87 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.9 t -74.39 -43.82 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.049999999999997 111.091 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.83 -23.37 55.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.109999999999999 111.066 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.64 -48.81 9.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 72.25 112.501 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -57.03 -46.95 81.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 74.120000000000005 110.905 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mt -74.3 -30.39 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 72.329999999999998 111.106 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.28 -33.45 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 74.400000000000006 111.104 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.8 -54.05 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 75.109999999999999 111.144 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.08 68.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 63.450000000000003 111.125 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.5 mt -53.19 -67.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 74.310000000000002 110.924 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -65.82 -21.26 66.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.111 -0.495 . . . . 75.109999999999999 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -47.58 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.200000000000003 111.16 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.95 -44.65 66.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.409999999999997 111.068 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -51.29 -47.86 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 110.891 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -76.6 -29.9 56.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 110.893 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.62 -33.5 46.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 64.420000000000002 111.1 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.8 t -73.71 -28.63 61.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 64.010000000000005 110.918 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -70.86 -38.68 73.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 73.310000000000002 110.889 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.42 4.45 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.310000000000002 110.933 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.9 25.61 31.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 52.530000000000001 112.453 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.3 m -114.48 149.19 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.402 . . . . 65.340000000000003 111.108 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.81 149.62 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 75.349999999999994 110.911 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.9 pt -100.47 179.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 61.439999999999998 111.14 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 72.299999999999997 110.823 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.918 0.389 . . . . 72.310000000000002 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.77 -169.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 73.239999999999995 111.09 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.5 -21.13 48.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 63.420000000000002 112.44 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.1 mm -80.05 -46.03 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.348 . . . . 75.230000000000004 111.113 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.66 -9.65 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 74.299999999999997 111.049 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -75.99 -56.05 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 71.010000000000005 110.869 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.536 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.48 -19.22 42.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 75.219999999999999 110.979 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.69 -28.77 3.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 63.200000000000003 111.126 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 73.209999999999994 111.176 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.916 0.388 . . . . 75.010000000000005 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -26.9 21.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.430000000000007 111.175 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -49.85 -40.15 41.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 64.409999999999997 110.909 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.58 -31.53 10.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 72.230000000000004 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -54.09 -54.75 35.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 75.140000000000001 110.907 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.94 -32.73 61.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 74.209999999999994 111.109 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -74.81 -47.25 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.200000000000003 110.884 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.02 -15.77 60.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 74.430000000000007 110.899 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.26 -66.15 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.439999999999998 110.937 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -51.15 -32.59 23.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 73.530000000000001 110.841 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -41.68 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 73.409999999999997 110.789 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -128.55 31.18 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.540000000000006 110.856 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.83 126.8 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 75.430000000000007 110.896 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.94 -20.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 54.130000000000003 112.46 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -33.88 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 73.030000000000001 111.127 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -118.77 177.86 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 73.450000000000003 110.945 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.17 152.13 34.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 51.329999999999998 110.822 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -166.69 138.27 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 75.200000000000003 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.91 173.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 73.140000000000001 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.66 139.69 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.230000000000004 110.921 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.76 103.81 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 75.349999999999994 111.111 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -74.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 74.510000000000005 110.893 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.536 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -178.08 158.43 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 64.510000000000005 111.124 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -176.82 151.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 73.439999999999998 110.797 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.5 m -70.69 -74.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 73.420000000000002 110.873 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -177.24 179.74 47.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 65.450000000000003 112.5 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.31 -169.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 73.200000000000003 110.82 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -99.36 8.68 44.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 65.510000000000005 110.921 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -75.98 -30.84 58.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.400000000000006 110.808 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -74.34 -38.33 63.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.329999999999998 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -54.75 -24.72 23.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.439999999999998 110.88 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.07 -34.27 42.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.916 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.8 m -55.22 -25.15 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 71.349999999999994 111.158 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -46.58 90.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 72.439999999999998 110.855 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -49.25 33.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 72.099999999999994 110.877 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -54.92 34.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 75.340000000000003 110.937 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.55 -34.8 59.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 75.400000000000006 111.093 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.61 -30.94 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.63 -32.81 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 75.430000000000007 110.808 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.79 -41.97 74.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.420000000000002 111.098 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.54 -24.62 62.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 71.519999999999996 110.93 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.3 31.8 7.37 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.768 -0.73 . . . . 71.439999999999998 112.44 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 20.9 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 70.349999999999994 111.18 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.1 t0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.773 0.321 . . . . 64.25 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.61 24.15 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 75.129999999999995 110.902 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -66.99 168.09 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 111.174 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 179.96 33.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.93 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -151.11 159.81 44.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 71.400000000000006 111.002 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -51.64 158.9 0.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.195 -0.457 . . . . 65.329999999999998 110.882 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.9 t -91.49 142.54 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 73.200000000000003 111.15 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -71.52 79.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.200000000000003 110.881 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.2 p -128.04 164.91 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 75.230000000000004 111.124 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.49 102.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 72.010000000000005 110.866 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.0 85.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.792 -0.718 . . . . 53.329999999999998 112.518 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -175.76 145.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 40.130000000000003 110.831 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -179.31 161.47 1.09 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 75.310000000000002 111.017 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 p -140.33 115.06 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 74.530000000000001 111.066 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 70.37 -70.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.924 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.93 21.76 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.839 -0.696 . . . . 55.520000000000003 112.505 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -177.44 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 74.219999999999999 110.921 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -116.59 134.63 54.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 64.329999999999998 110.932 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.71 165.75 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 73.340000000000003 111.007 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -140.34 130.67 25.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 73.200000000000003 110.909 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.39 150.35 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 111.165 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -153.3 156.09 37.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 64.230000000000004 110.86 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.48 129.23 45.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 72.329999999999998 111.118 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -114.38 140.08 48.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.109999999999999 110.867 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -142.79 138.69 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 60.200000000000003 111.07 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.8 132.43 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 71.430000000000007 110.873 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 68.13 11.59 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 75.120000000000005 110.883 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.96 27.69 25.51 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.743 -0.741 . . . . 60.439999999999998 112.465 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -149.65 159.53 44.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.369 . . . . 75.420000000000002 110.922 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -54.98 119.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 75.219999999999999 111.161 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -107.78 -51.62 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 75.040000000000006 110.814 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -130.21 166.68 19.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 73.450000000000003 110.931 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.63 100.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 74.340000000000003 110.898 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.14 130.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.230000000000004 110.864 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.43 173.88 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 72.230000000000004 111.072 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -157.35 172.35 18.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 110.873 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 m -122.44 166.08 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 72.450000000000003 111.098 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.56 -143.76 12.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 72.129999999999995 112.473 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 34.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 71.409999999999997 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -102.17 149.04 36.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.608 0.718 . . . . 72.129999999999995 110.877 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 -49.02 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.704 2.269 . . . . 75.510000000000005 112.342 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.04 94.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.430000000000007 111.088 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.66 -14.25 60.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 73.049999999999997 111.078 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.67 17.99 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 111.071 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 p -117.53 -19.24 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.310000000000002 111.161 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.2 mmm -94.51 20.31 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 73.439999999999998 110.815 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 66.43 -78.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 75.549999999999997 110.905 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -155.09 18.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 60.240000000000002 110.838 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.8 -48.42 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 111.125 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.53 69.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.349999999999994 111.104 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.76 -20.79 62.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 44.530000000000001 112.492 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.23 -55.65 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 73.540000000000006 110.848 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.62 -30.84 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 111.114 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.23 -33.01 4.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 111.099 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.83 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 71.010000000000005 111.111 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.79 -37.13 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 64.310000000000002 111.166 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.02 -67.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.439999999999998 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -57.57 -31.96 66.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 73.219999999999999 110.985 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.73 -39.67 74.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 70.439999999999998 111.067 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.6 t -76.37 -44.25 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.549999999999997 111.045 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -51.37 -49.84 60.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 110.835 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -31.34 56.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 71.230000000000004 110.961 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.31 -35.17 49.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 74.329999999999998 111.134 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.0 t -72.53 -28.79 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 64.109999999999999 110.904 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -70.27 -38.79 75.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 71.120000000000005 110.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mp -85.36 4.58 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.430000000000007 110.926 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.29 20.22 43.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.789 -0.719 . . . . 64.099999999999994 112.451 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 m -109.89 178.1 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.965 0.412 . . . . 75.25 111.093 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -130.59 -170.93 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 74.430000000000007 110.883 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.1 pt -139.56 142.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.140000000000001 111.098 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.979 0.419 . . . . 73.319999999999993 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.64 -172.2 3.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 71.209999999999994 111.092 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.45 -33.69 40.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 64.120000000000005 112.458 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.2 mp -69.34 -31.62 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 70.099999999999994 111.109 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.58 82.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.057 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -24.21 16.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 75.230000000000004 110.812 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -78.62 -27.41 45.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 75.439999999999998 110.912 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.91 -10.94 59.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 73.25 111.182 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.140000000000001 111.128 -179.837 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.958 0.409 . . . . 73.219999999999999 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.79 -46.86 71.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.349999999999994 111.141 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.83 -44.74 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.420000000000002 110.939 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.01 98.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 70.5 111.055 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -53.74 -34.48 59.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 73.129999999999995 110.891 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.7 -27.11 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 73.420000000000002 111.084 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -74.6 -45.4 45.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.150000000000006 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.0 mt -54.89 -22.9 16.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 71.200000000000003 110.93 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.2 ttt -51.8 -66.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 71.0 110.849 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -55.34 -30.6 60.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 75.010000000000005 110.885 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -46.14 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 71.239999999999995 110.959 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -131.03 35.91 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 74.409999999999997 110.943 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.38 128.45 34.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 64.099999999999994 110.866 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.6 -20.85 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 64.120000000000005 112.523 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.73 -33.58 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 75.549999999999997 111.065 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -112.46 177.49 4.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.19 129.1 19.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 71.040000000000006 110.808 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.92 173.12 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 71.230000000000004 110.895 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.99 148.87 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 64.040000000000006 110.839 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.45 101.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 73.120000000000005 110.911 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.0 p -108.47 150.56 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 74.299999999999997 111.062 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -130.49 -75.67 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 75.299999999999997 110.872 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.95 136.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.400000000000006 111.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -158.83 -82.1 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 74.549999999999997 110.84 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.4 p 177.44 -175.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 73.120000000000005 110.856 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.31 157.13 25.69 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.735 -0.745 . . . . 75.219999999999999 112.443 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.28 -77.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 73.530000000000001 110.942 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.82 -17.55 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -50.51 -36.99 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 73.040000000000006 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -41.2 48.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 64.120000000000005 110.934 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.73 -24.67 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 64.409999999999997 110.852 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.9 -36.45 48.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 74.420000000000002 110.925 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.6 m -56.45 -23.57 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 74.510000000000005 111.165 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -62.06 -53.22 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 74.310000000000002 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 12.3 ttp -71.57 -32.85 68.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.540000000000006 110.883 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.66 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 74.329999999999998 110.937 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.82 71.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.349999999999994 111.069 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -52.05 -34.29 42.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.230000000000004 110.882 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.6 m -59.33 -41.27 88.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.230000000000004 110.756 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.54 -42.89 75.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.420000000000002 111.076 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.44 -24.23 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.902 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.47 41.73 9.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 72.129999999999995 112.479 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 70.420000000000002 111.133 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.823 0.344 . . . . 64.439999999999998 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -165.37 31.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.150000000000006 110.852 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 p -50.14 153.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.120000000000005 111.096 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -51.52 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.450000000000003 110.826 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.43 -74.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 75.319999999999993 110.918 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -89.76 153.06 20.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.099999999999994 110.919 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -93.49 146.42 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.510000000000005 111.203 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -70.07 79.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 75.329999999999998 110.913 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -135.42 178.31 7.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 72.109999999999999 111.135 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 64.07 102.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 72.099999999999994 110.85 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.72 -152.15 20.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 65.150000000000006 112.489 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.87 146.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 73.349999999999994 110.926 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -179.72 156.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.120000000000005 110.937 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 p -141.67 113.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.420000000000002 111.142 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 70.06 -71.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 75.010000000000005 110.824 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.5 26.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 64.099999999999994 112.471 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.93 -175.59 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.836 0.35 . . . . 72.299999999999997 110.864 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -129.57 135.54 48.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 110.938 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.16 169.3 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.25 111.17 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -135.92 130.47 33.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 73.310000000000002 110.883 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.83 166.22 22.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 75.310000000000002 111.136 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.83 159.31 26.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 75.239999999999995 110.879 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.43 119.9 40.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 72.310000000000002 111.099 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -106.45 136.84 45.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 110.84 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 t -148.39 131.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 63.43 111.121 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.65 134.87 52.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 75.530000000000001 110.958 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t0 66.39 13.24 9.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.27 -0.423 . . . . 71.140000000000001 110.892 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.6 23.43 36.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 72.109999999999999 112.425 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -149.5 161.29 42.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 75.519999999999996 110.874 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.99 128.14 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.349999999999994 111.107 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -106.44 -59.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.85 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.84 134.46 11.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 75.400000000000006 110.883 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -126.85 132.77 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 73.5 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.37 107.91 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 72.109999999999999 110.878 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.44 -178.64 7.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 71.409999999999997 111.145 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -157.16 148.02 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 75.040000000000006 110.827 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.43 155.33 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 71.530000000000001 111.163 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -107.64 -161.07 21.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 62.340000000000003 112.522 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.65 33.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 75.010000000000005 110.851 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -90.01 154.59 47.45 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.678 0.752 . . . . 75.109999999999999 110.9 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 65.349999999999994 112.398 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.17 -21.63 64.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 73.140000000000001 111.057 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.57 -25.42 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 111.06 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.67 17.54 19.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 55.039999999999999 111.16 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -118.79 -13.5 9.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 70.310000000000002 111.217 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 90.6 mmm -95.52 32.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 73.099999999999994 110.977 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 63.59 28.13 15.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 72.420000000000002 110.913 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 64.0 15.68 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 70.209999999999994 110.843 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.75 -43.03 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 111.14 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.29 -39.29 56.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 72.010000000000005 111.102 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.31 -33.57 58.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.745 -0.74 . . . . 71.019999999999996 112.488 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.17 -54.29 48.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 75.409999999999997 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 mt -67.78 -31.27 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 74.519999999999996 111.17 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.29 -42.29 20.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.239999999999995 111.117 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.07 -48.56 61.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 71.409999999999997 111.085 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.4 -40.68 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 73.109999999999999 111.131 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mt -58.23 -67.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 74.209999999999994 110.846 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -56.14 -32.43 64.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.140000000000001 110.957 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.18 83.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 74.340000000000003 111.061 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.02 -44.49 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 72.450000000000003 111.079 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -51.49 -46.63 63.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 110.946 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -30.12 56.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 110.909 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.06 -31.39 30.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 73.109999999999999 111.073 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.6 t -76.17 -28.46 57.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 65.230000000000004 110.895 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -73.36 -46.85 46.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 70.129999999999995 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.68 -5.16 44.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 73.409999999999997 110.867 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.97 11.77 58.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 72.310000000000002 112.446 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 m -97.53 173.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 72.120000000000005 111.141 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -138.23 148.5 44.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.340000000000003 110.943 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.6 pt -100.04 -178.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 73.129999999999995 111.077 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 71.209999999999994 110.877 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.876 0.37 . . . . 63.130000000000003 110.901 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.01 37.53 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 62.210000000000001 111.145 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.87 -76.92 0.4 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 64.519999999999996 112.476 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.94 -41.88 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 74.219999999999999 111.205 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.26 -23.31 59.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 111.124 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -55.3 27.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 110.908 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.548 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.15 -26.01 36.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 110.918 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.13 -19.55 54.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 72.439999999999998 111.07 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 111.103 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.922 0.391 . . . . 71.049999999999997 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -44.65 93.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 72.430000000000007 111.177 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -42.14 49.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 72.349999999999994 110.946 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.3 -35.91 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 72.540000000000006 111.069 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -54.19 -54.02 45.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.430000000000007 110.921 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.64 -29.05 58.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.230000000000004 111.133 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -49.96 20.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.299999999999997 110.902 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.64 -18.11 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.239999999999995 110.925 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -66.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 75.230000000000004 110.858 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.47 -32.32 57.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 51.329999999999998 110.906 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -48.99 53.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 75.420000000000002 110.893 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -124.04 31.83 5.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 75.209999999999994 110.898 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 133.25 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 75.319999999999993 110.914 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.66 -19.63 0.69 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.652 -0.785 . . . . 63.439999999999998 112.399 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.1 -33.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 73.120000000000005 111.153 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -125.5 178.07 5.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 75.420000000000002 110.885 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -167.42 161.65 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 71.129999999999995 110.851 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -156.73 172.35 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 72.040000000000006 110.818 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -170.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 73.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -75.94 68.03 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 73.129999999999995 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 m -56.88 120.7 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.439999999999998 111.115 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -112.36 -75.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 110.889 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.548 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -179.77 139.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 71.329999999999998 111.112 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -159.75 153.45 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 72.349999999999994 110.853 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -75.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 65.010000000000005 110.861 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 167.13 167.17 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 65.239999999999995 112.537 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -174.71 -161.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.744 0.307 . . . . 64.209999999999994 110.919 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.41 8.67 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.91 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -50.17 -36.94 32.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 73.120000000000005 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -76.56 -39.93 51.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.310000000000002 110.877 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.59 -24.56 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 63.240000000000002 110.859 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -59.72 -44.54 93.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 110.877 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.0 m -55.87 -21.2 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 72.310000000000002 111.18 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.14 -47.24 85.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.87 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 13.6 ttp -72.97 -44.54 60.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 73.329999999999998 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -53.68 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 74.230000000000004 110.889 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.06 -34.06 54.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 74.219999999999999 111.083 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -30.93 33.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 74.430000000000007 110.865 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.07 -37.53 38.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 75.540000000000006 110.801 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.87 95.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 111.094 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -49.97 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 73.150000000000006 110.926 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 120.49 82.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 74.099999999999994 112.556 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 75.549999999999997 111.126 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.833 0.349 . . . . 74.219999999999999 110.874 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -106.86 20.08 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -94.47 159.85 14.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.107 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -179.35 50.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 63.229999999999997 110.872 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -131.87 -86.89 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 75.420000000000002 110.901 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -153.56 156.15 37.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 65.209999999999994 110.824 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.4 t -100.75 139.37 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 75.439999999999998 111.076 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -72.62 78.27 1.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 73.329999999999998 110.905 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 p -120.02 178.38 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 71.230000000000004 111.183 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.43 90.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 53.009999999999998 110.93 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.68 -93.63 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 70.049999999999997 112.504 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 p -176.99 -75.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 73.439999999999998 110.888 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 p90 179.48 172.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 74.129999999999995 110.96 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 p -141.68 109.93 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 73.5 111.123 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 69.69 -71.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 70.340000000000003 110.853 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.45 20.52 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 74.409999999999997 112.464 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.2 -176.25 3.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 74.230000000000004 110.903 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -110.81 134.44 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.450000000000003 110.985 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.01 171.93 8.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 61.329999999999998 111.031 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -155.7 130.49 9.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.510000000000005 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.75 175.65 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 71.319999999999993 111.141 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.31 171.27 20.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.924 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.85 126.97 54.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 63.100000000000001 111.162 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -110.07 139.96 44.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 72.150000000000006 110.905 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 t -144.17 132.03 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 73.519999999999996 111.137 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.55 132.55 49.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 74.219999999999999 110.858 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 67.58 11.88 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 74.129999999999995 110.837 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.75 26.13 23.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 63.420000000000002 112.462 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -149.47 162.36 40.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 75.409999999999997 110.88 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.51 120.9 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 74.430000000000007 111.152 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -107.71 -48.55 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 75.219999999999999 110.893 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.04 177.51 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 110.909 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.38 111.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 74.310000000000002 110.888 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.22 -176.93 1.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 72.450000000000003 110.934 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.69 172.67 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 74.340000000000003 111.089 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -153.98 168.35 26.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 55.350000000000001 110.914 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 m -118.54 156.92 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.409999999999997 111.108 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.17 151.15 18.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.691 -0.766 . . . . 74.109999999999999 112.475 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 47.47 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 74.439999999999998 110.916 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -94.94 156.42 38.01 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 71.329999999999998 110.886 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -42.68 3.15 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.743 2.295 . . . . 75.409999999999997 112.306 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.63 -31.66 59.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 73.040000000000006 111.054 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.58 -52.05 10.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 73.349999999999994 111.082 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.99 -39.79 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 74.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -41.77 78.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 73.530000000000001 111.119 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.4 mmm -118.48 59.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.87 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.95 161.52 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 75.510000000000005 110.877 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.5 t30 72.38 -69.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.867 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.7 t -52.31 -46.4 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 74.5 111.114 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.89 -27.24 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 111.092 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.14 -51.63 42.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 72.019999999999996 112.431 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.67 -43.1 72.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 74.140000000000001 110.898 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 mt -73.77 -32.46 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 111.123 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.29 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 111.092 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.97 -47.21 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 60.109999999999999 111.059 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.64 -40.83 63.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.239999999999995 111.077 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.91 -67.03 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.414 . . . . 75.209999999999994 110.892 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -57.39 -36.18 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 74.450000000000003 110.952 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.54 -38.58 78.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 70.030000000000001 111.078 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.1 t -76.13 -45.29 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 63.539999999999999 111.089 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -51.93 -45.93 64.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 75.420000000000002 110.891 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -76.29 -31.42 58.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.293 -0.412 . . . . 64.319999999999993 110.859 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.8 -31.77 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.340000000000003 111.133 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -76.3 -33.78 59.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 75.219999999999999 110.906 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -63.97 -40.53 96.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 72.239999999999995 110.903 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.3 mp -83.81 2.43 38.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 75.439999999999998 110.846 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.73 21.6 36.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 75.129999999999995 112.485 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.6 m -112.01 -179.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 75.409999999999997 111.087 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.84 157.46 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 110.883 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.8 pt -99.57 179.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 75.510000000000005 111.177 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.84 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.939 0.399 . . . . 75.150000000000006 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.07 174.19 5.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 74.439999999999998 111.16 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.95 -23.88 32.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 71.540000000000006 112.51 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.64 -46.35 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 75.120000000000005 111.139 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.86 -26.11 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 72.549999999999997 111.053 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -56.84 -56.56 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 110.928 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.95 -17.79 45.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 75.239999999999995 110.928 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 115' ' ' VAL . . . -54.1 -24.16 16.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 62.140000000000001 111.162 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 111.161 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.6 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.897 0.38 . . . . 74.329999999999998 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -34.81 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 111.217 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -65.0 -41.28 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.200000000000003 110.924 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.11 -32.95 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.349999999999994 111.145 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -53.51 -54.48 36.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.919 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.47 -30.53 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 64.329999999999998 111.041 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -74.64 -45.53 44.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 75.129999999999995 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.93 -22.52 65.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 75.200000000000003 110.899 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.8 ttt -55.34 -67.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 65.319999999999993 110.877 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.84 -30.34 61.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 74.120000000000005 110.85 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -43.95 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.919 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.99 36.82 3.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 110.9 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 162.76 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 74.209999999999994 110.953 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.32 -51.87 0.81 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 71.400000000000006 112.462 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -27.76 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 72.439999999999998 111.139 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -128.93 177.53 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.109999999999999 110.971 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 m -155.51 161.72 40.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 74.439999999999998 110.846 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -170.51 170.5 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.430000000000007 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.46 172.48 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 75.219999999999999 110.912 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -70.03 83.34 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 70.400000000000006 110.871 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . 3.8 m -62.33 149.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 73.549999999999997 111.098 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.27 -73.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.922 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 178.23 97.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 75.519999999999996 111.096 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -176.26 152.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 65.120000000000005 110.847 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.3 m -177.12 160.09 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.010000000000005 110.916 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.37 82.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 53.119999999999997 112.484 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -179.84 177.0 0.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.754 0.311 . . . . 73.420000000000002 110.909 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -95.28 3.62 54.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 72.239999999999995 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -52.15 -29.56 22.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 75.540000000000006 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -77.07 -49.44 15.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 71.140000000000001 110.879 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.87 -24.13 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 63.340000000000003 110.871 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -52.07 -28.93 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.109999999999999 110.971 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.1 m -57.4 -20.24 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 75.150000000000006 111.144 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -59.08 -52.82 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.826 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -40.43 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.420000000000002 110.891 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -53.33 59.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 71.329999999999998 110.976 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.92 -34.39 55.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.409999999999997 111.111 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -52.57 -39.09 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 71.230000000000004 110.88 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -32.38 44.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 75.120000000000005 110.822 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.91 74.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 61.109999999999999 111.093 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.13 -46.94 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.530000000000001 110.95 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 117.65 88.45 1.3 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.758 -0.734 . . . . 35.539999999999999 112.501 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 42.4 mm . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 65.439999999999998 111.135 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.89 0.376 . . . . 74.099999999999994 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -116.14 23.13 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.120000000000005 110.945 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 p -62.74 149.74 43.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 64.140000000000001 111.146 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.11 -53.67 6.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 74.150000000000006 110.878 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 179.61 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 75.439999999999998 110.91 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -82.73 165.12 20.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 110.862 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 67.8 t -111.43 142.96 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.120000000000005 111.151 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.34 79.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.200000000000003 110.904 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.0 p -122.53 178.76 4.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 75.329999999999998 111.17 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.73 85.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.010000000000005 110.856 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.92 85.79 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 73.409999999999997 112.473 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.39 141.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 74.230000000000004 110.808 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -179.34 161.67 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.501 . . . . 75.530000000000001 110.971 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.7 p -135.51 115.55 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 111.14 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 70.35 -70.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.230000000000004 110.84 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.24 22.43 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 64.409999999999997 112.515 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.98 -177.91 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 75.099999999999994 110.904 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -109.82 134.59 51.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 73.420000000000002 110.879 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.2 173.13 11.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 55.329999999999998 111.09 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 -144.13 130.41 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.129999999999995 110.901 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.11 132.68 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 72.510000000000005 111.086 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -136.58 144.89 44.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.450000000000003 110.963 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.31 129.3 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 54.43 111.085 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -117.32 128.14 54.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 75.349999999999994 110.833 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -150.46 109.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.510000000000005 111.167 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 142.77 47.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.873 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t0 73.72 6.73 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 75.140000000000001 110.843 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.01 26.7 28.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 72.25 112.491 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -149.92 162.68 39.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 75.209999999999994 110.833 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.96 114.36 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 71.299999999999997 111.112 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -95.79 -39.55 9.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 73.540000000000006 110.837 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 -179.19 5.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 73.319999999999993 110.87 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.14 -177.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 73.099999999999994 110.875 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.39 164.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 64.230000000000004 110.866 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.66 -173.51 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 111.12 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -153.38 156.77 38.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.340000000000003 110.897 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.7 m -112.47 172.74 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.5 111.074 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.63 -152.38 10.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.796 -0.716 . . . . 72.310000000000002 112.51 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 34.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 74.209999999999994 110.933 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.95 151.88 38.02 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.629 0.728 . . . . 75.409999999999997 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.91 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 71.409999999999997 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.84 -24.85 62.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 72.420000000000002 111.12 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.18 -57.15 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 53.219999999999999 111.144 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.12 -38.82 71.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 44.119999999999997 111.126 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -57.87 -24.38 57.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 73.239999999999995 111.162 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mtp -95.15 17.67 13.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.150000000000006 110.846 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 69.85 -73.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 74.120000000000005 110.845 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -162.74 22.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 62.399999999999999 110.947 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.4 t -74.4 -50.88 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 74.230000000000004 111.097 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.59 97.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 72.209999999999994 111.046 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.04 -24.46 35.24 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.798 -0.715 . . . . 62.329999999999998 112.484 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -73.46 -54.42 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 75.430000000000007 110.934 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.51 -31.62 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.530000000000001 111.115 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.66 -31.93 7.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 70.310000000000002 111.067 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.62 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 64.430000000000007 111.106 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.6 -31.69 37.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 74.439999999999998 111.062 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.68 -67.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 64.239999999999995 110.932 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.27 -30.56 66.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 71.120000000000005 110.96 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.23 86.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 74.120000000000005 111.13 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 91.7 t -76.17 -45.29 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 75.349999999999994 111.127 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -53.51 -48.14 69.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 72.540000000000006 110.904 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -76.85 -30.63 56.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 74.409999999999997 110.927 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.93 -35.33 45.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 74.519999999999996 111.056 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.1 t -70.34 -28.48 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 71.209999999999994 110.845 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -73.93 -39.88 63.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.010000000000005 110.941 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mp -86.47 -6.64 58.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.13 35.18 41.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 75.5 112.513 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.9 m -107.91 -32.65 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 74.299999999999997 111.094 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.87 -169.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 74.430000000000007 110.863 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 pt -142.42 179.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 111.097 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.299999999999997 110.857 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 121.012 0.434 . . . . 71.420000000000002 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.71 -169.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 73.329999999999998 111.113 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.99 -14.62 73.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 64.200000000000003 112.543 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.1 mm -80.08 -45.91 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 74.519999999999996 111.113 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.91 62.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 75.329999999999998 111.075 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.7 -48.57 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.540000000000006 110.844 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -30.09 36.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 110.914 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.03 -14.27 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 63.140000000000001 111.101 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.3 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 62.229999999999997 111.205 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.953 0.406 . . . . 72.530000000000001 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -24.46 11.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 74.239999999999995 111.135 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -47.32 -50.19 22.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 74.450000000000003 110.924 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.32 83.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 111.176 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -54.37 -42.09 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.926 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.95 -28.1 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 64.219999999999999 111.055 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -73.95 -47.61 36.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.400000000000006 110.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.4 mt -54.9 -21.48 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 64.430000000000007 110.97 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -66.26 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 74.409999999999997 110.879 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -53.27 -32.63 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 72.319999999999993 110.929 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -49.13 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 73.099999999999994 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -121.5 31.02 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 72.200000000000003 110.877 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.94 130.14 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 72.239999999999995 110.872 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.05 -21.22 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 71.25 112.555 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.21 -33.82 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.797 0.332 . . . . 72.120000000000005 111.067 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -120.56 178.25 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 74.530000000000001 110.945 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.43 156.13 37.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 75.019999999999996 110.902 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -164.61 167.67 18.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 74.230000000000004 110.835 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -176.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 74.310000000000002 110.961 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 81.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 71.200000000000003 110.891 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 5.8 m -64.02 131.86 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 70.209999999999994 111.111 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -145.44 -79.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 74.299999999999997 110.848 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 177.93 119.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 75.310000000000002 111.053 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -147.28 -78.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 75.310000000000002 110.851 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 p 178.64 -175.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 72.239999999999995 110.912 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 169.26 137.39 2.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.805 -0.712 . . . . 72.450000000000003 112.509 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.32 -75.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.793 0.33 . . . . 73.239999999999995 110.877 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -84.0 -31.42 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 73.340000000000003 110.879 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -51.02 -35.65 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 71.409999999999997 110.878 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -42.39 45.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 72.109999999999999 110.862 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -51.55 -24.22 5.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 71.409999999999997 110.923 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -51.79 -34.7 41.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 73.530000000000001 110.924 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 28.6 m -56.46 -23.47 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 111.082 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -56.1 -51.66 67.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 72.120000000000005 110.88 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -49.21 37.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 64.140000000000001 110.945 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -36.19 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.349999999999994 110.869 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.71 64.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 75.519999999999996 111.164 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -51.87 -32.49 32.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 72.230000000000004 110.888 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.2 t -77.63 -32.31 53.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 63.32 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.88 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 64.049999999999997 111.081 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.84 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 137.54 38.19 0.14 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 72.120000000000005 112.463 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.3 mm . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 72.319999999999993 111.164 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.8 0.333 . . . . 72.540000000000006 110.843 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -149.73 18.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 74.299999999999997 110.859 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.6 p -80.01 179.67 7.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.46 . . . . 73.140000000000001 111.151 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -174.4 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -51.77 163.89 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 75.109999999999999 110.911 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.49 155.16 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 74.310000000000002 110.956 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.5 t -90.59 143.12 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 75.140000000000001 111.103 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -70.65 78.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 74.040000000000006 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.5 p -130.65 178.19 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 74.219999999999999 111.129 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.31 94.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 72.239999999999995 110.899 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.06 -158.08 30.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.807 -0.711 . . . . 75.329999999999998 112.562 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p 65.63 149.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 71.340000000000003 110.899 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -179.47 137.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.349999999999994 110.966 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.66 122.5 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 71.209999999999994 111.126 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 t30 62.28 -82.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 75.239999999999995 110.905 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.37 22.03 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 71.420000000000002 112.47 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 -178.02 4.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 73.099999999999994 110.925 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -133.14 134.59 44.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.969 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.74 165.52 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 64.340000000000003 111.14 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.7 p90 -130.47 154.28 47.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 74.5 110.898 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.42 160.84 43.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 61.539999999999999 111.014 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -159.54 150.61 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.916 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.51 125.84 48.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 72.019999999999996 111.079 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -109.08 140.28 42.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 110.932 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.4 t -143.54 126.3 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.329999999999998 111.209 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -123.81 137.55 54.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 74.099999999999994 110.864 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.46 13.03 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 55.420000000000002 110.869 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.31 15.89 58.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 71.219999999999999 112.482 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -138.85 166.0 25.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.745 0.307 . . . . 75.530000000000001 110.949 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.63 121.63 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 74.030000000000001 111.121 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -107.67 -51.71 2.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 71.519999999999996 110.86 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.1 172.45 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.030000000000001 110.921 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.98 111.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 73.5 110.842 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -178.6 162.4 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 72.439999999999998 110.859 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -132.19 166.87 20.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 111.124 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -135.91 145.3 46.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 75.140000000000001 110.867 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -110.2 155.5 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 111.105 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.88 -162.96 16.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 64.329999999999998 112.505 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 44.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 71.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -108.75 155.66 40.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 75.439999999999998 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.4 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.244 . . . . 65.400000000000006 112.325 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.28 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.140000000000001 111.095 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.2 -52.68 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 43.130000000000003 111.083 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.7 -24.07 46.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 75.409999999999997 111.039 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 t -70.63 -9.95 58.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 74.510000000000005 111.143 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.35 25.49 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 72.25 110.872 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 64.31 -82.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 71.109999999999999 110.887 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -153.78 19.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 62.329999999999998 110.897 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.46 -40.58 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 73.239999999999995 111.127 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.36 -24.21 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.081 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.6 -20.52 78.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 74.129999999999995 112.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.15 -36.46 66.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 75.439999999999998 110.928 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 mt -76.45 -31.43 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.150000000000006 111.043 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.68 -31.49 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 63.43 111.1 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.29 -53.29 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 111.107 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.65 -38.16 59.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 63.420000000000002 111.09 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.0 mt -52.47 -67.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 110.911 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -65.85 -34.07 77.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 74.030000000000001 110.879 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.04 -41.45 75.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 73.209999999999994 111.15 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.0 t -76.45 -47.24 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 111.18 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -51.06 -49.68 60.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 74.409999999999997 110.924 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.5 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 71.310000000000002 110.909 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.72 -32.78 44.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 72.099999999999994 111.114 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 t -75.9 -28.58 58.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.430000000000007 110.869 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.21 -41.1 74.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 60.140000000000001 110.948 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.08 -0.49 40.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 72.329999999999998 110.916 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.75 23.58 58.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.799 -0.715 . . . . 61.549999999999997 112.505 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 m -111.4 -172.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 72.019999999999996 111.135 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -138.35 149.77 45.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.409999999999997 110.942 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.7 pt -100.39 -178.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 73.030000000000001 111.124 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 73.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.885 0.374 . . . . 75.230000000000004 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.4 -169.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 74.299999999999997 111.1 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -80.96 -31.81 34.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.798 -0.715 . . . . 70.010000000000005 112.497 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -57.26 -45.98 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 75.030000000000001 111.126 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.91 -8.17 56.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.230000000000004 111.12 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -79.29 -56.16 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 73.439999999999998 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -19.38 42.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 74.420000000000002 110.978 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.3 -36.92 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 71.010000000000005 111.171 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 62.130000000000003 111.141 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.923 0.392 . . . . 62.299999999999997 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -32.42 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 74.340000000000003 111.187 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -52.42 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.150000000000006 110.848 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.87 73.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 51.109999999999999 111.126 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -53.11 -44.68 67.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.939 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.02 -31.64 72.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.512 . . . . 62.329999999999998 111.068 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -74.66 -44.67 49.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 63.530000000000001 110.879 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.26 -21.29 8.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.400000000000006 110.883 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -66.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -53.88 -30.65 46.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 75.530000000000001 110.865 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.32 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.439999999999998 110.905 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.57 25.74 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 110.915 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -76.68 126.71 31.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 74.140000000000001 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 159.0 -22.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 73.540000000000006 112.521 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -33.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 75.040000000000006 111.079 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -117.48 178.23 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.030000000000001 110.891 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.2 t -148.92 161.35 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 74.439999999999998 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -176.2 173.02 2.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 73.349999999999994 110.884 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.06 164.89 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 75.510000000000005 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -51.59 148.65 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.230000000000004 110.953 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.54 137.11 54.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 71.319999999999993 111.105 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -113.93 -78.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 74.540000000000006 110.941 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 178.57 119.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 111.042 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.6 155.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.129999999999995 110.829 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 p -179.7 -175.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 74.019999999999996 110.784 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 103.2 71.69 0.88 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 60.219999999999999 112.469 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.82 -167.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.311 . . . . 74.319999999999993 110.887 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.59 11.84 30.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.858 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -49.52 -28.66 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 74.510000000000005 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -75.52 -41.65 54.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.040000000000006 110.871 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.77 -24.52 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 71.519999999999996 110.871 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.42 -38.76 59.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 75.329999999999998 110.929 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.0 m -56.19 -22.05 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 75.120000000000005 111.098 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -50.03 73.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 64.5 110.817 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 11.6 ttp -72.34 -42.21 65.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 72.329999999999998 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -54.06 48.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 75.430000000000007 110.867 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.46 -34.14 56.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.099999999999994 111.109 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.48 -31.38 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.885 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.7 m -75.23 -35.56 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 110.784 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.59 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 71.530000000000001 111.121 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.0 mt -74.67 -61.32 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 74.109999999999999 110.952 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 130.09 39.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 73.239999999999995 112.515 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.5 mm . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 74.129999999999995 111.168 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.835 0.35 . . . . 73.530000000000001 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -162.95 32.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.409999999999997 110.883 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 p -49.93 155.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 73.25 111.146 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.27 -72.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.409999999999997 110.949 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -167.98 -67.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.129999999999995 110.911 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -92.74 155.62 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 74.129999999999995 110.896 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.08 143.31 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.140000000000001 111.102 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -70.24 79.19 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 73.450000000000003 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -117.07 178.53 4.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 70.030000000000001 111.144 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 51.74 30.36 6.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 71.519999999999996 110.87 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.72 79.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 61.119999999999997 112.447 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 p -179.32 104.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.846 0.355 . . . . 65.120000000000005 110.839 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -162.39 164.29 27.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 75.219999999999999 110.934 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.55 123.05 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 111.129 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 t30 62.56 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 71.450000000000003 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.44 18.4 1.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 75.340000000000003 112.458 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -90.78 -175.79 4.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.876 0.369 . . . . 74.209999999999994 110.932 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -137.0 134.52 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.219999999999999 110.957 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.73 156.52 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.209999999999994 111.116 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 70.4 p-90 -123.57 130.36 52.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.911 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.98 145.61 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.150000000000006 111.181 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -137.29 175.35 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 71.310000000000002 110.951 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.57 146.92 26.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 63.340000000000003 111.084 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.78 140.17 51.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 110.802 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 t -151.48 133.52 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 71.439999999999998 111.124 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -128.65 135.3 49.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 73.049999999999997 110.897 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.52 12.18 8.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 72.340000000000003 110.888 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.75 22.79 35.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 51.539999999999999 112.508 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -149.76 159.26 44.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.808 0.337 . . . . 74.5 110.956 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -54.94 129.15 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.150000000000006 111.13 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -105.56 -53.15 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.783 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.09 -173.9 3.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 70.140000000000001 110.959 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.34 107.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 75.430000000000007 110.857 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.47 -177.98 1.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 74.530000000000001 110.903 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -168.95 -175.37 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 73.150000000000006 111.111 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.95 151.57 23.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 110.892 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -118.78 155.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.129999999999995 111.097 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.08 162.5 12.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 64.239999999999995 112.456 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 42.39 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 74.530000000000001 110.94 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -92.55 154.77 42.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 65.340000000000003 110.908 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.49 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.722 2.281 . . . . 75.040000000000006 112.384 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.67 -24.49 56.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 65.230000000000004 111.064 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.87 -48.5 6.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 74.540000000000006 111.105 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.48 62.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 61.210000000000001 111.11 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 t -58.27 -21.79 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.219999999999999 111.107 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.88 21.25 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 65.519999999999996 110.823 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 66.24 -77.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 110.915 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -159.56 22.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 73.450000000000003 110.913 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -73.52 -51.05 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 73.310000000000002 111.1 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.38 -27.41 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 73.5 111.109 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.21 -20.75 78.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 74.329999999999998 112.475 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -70.27 -54.92 10.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.852 0.358 . . . . 73.319999999999993 110.874 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.6 mt -67.32 -31.31 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 75.120000000000005 111.222 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.61 -50.52 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.530000000000001 111.118 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.44 -53.35 30.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 111.091 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.94 -32.37 32.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 75.400000000000006 111.156 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.2 mt -66.29 -67.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.329999999999998 110.933 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -58.33 -26.23 62.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 74.310000000000002 110.973 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.47 87.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 61.219999999999999 111.085 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.6 t -76.28 -36.77 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 73.010000000000005 111.162 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -60.24 -45.37 93.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 73.310000000000002 110.905 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -75.94 -30.24 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 72.310000000000002 110.962 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.07 -36.82 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 75.430000000000007 111.126 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.2 t -71.15 -28.79 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.439999999999998 110.816 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -73.14 -47.69 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.510000000000005 110.946 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.78 -7.73 53.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 74.120000000000005 110.924 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.93 25.53 72.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 72.400000000000006 112.449 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 m -110.24 -171.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 74.129999999999995 111.187 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -133.27 -179.55 5.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.879 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.5 pt -142.13 -179.38 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.209999999999994 111.119 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.140000000000001 110.883 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.895 0.379 . . . . 71.319999999999993 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.28 -179.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 74.430000000000007 111.08 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.74 -11.0 72.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.757 . . . . 73.239999999999995 112.485 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.42 -46.44 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.359 . . . . 73.329999999999998 111.126 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.28 -5.77 55.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 64.310000000000002 111.143 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -85.56 -55.24 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 72.040000000000006 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -21.67 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 74.349999999999994 110.905 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.29 -31.66 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 44.140000000000001 111.087 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 62.329999999999998 111.137 -179.87 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.967 0.413 . . . . 72.099999999999994 110.892 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -26.49 9.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 62.020000000000003 111.076 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -45.37 46.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 75.349999999999994 110.929 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.7 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.530000000000001 111.087 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -53.94 -38.09 64.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 74.129999999999995 110.965 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.4 67.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 61.130000000000003 111.075 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -74.18 -45.47 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.439999999999998 110.907 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.4 mt -52.0 -23.38 5.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 110.901 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.1 ttp -51.97 -66.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 65.030000000000001 110.847 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.87 -31.36 59.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 64.340000000000003 110.875 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -40.9 41.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 75.340000000000003 110.961 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -134.15 32.55 3.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 64.319999999999993 110.881 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 127.41 32.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.209999999999994 110.873 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.21 -22.19 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 65.310000000000002 112.457 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.0 -31.67 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 64.5 111.103 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -120.67 177.64 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 75.430000000000007 110.955 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -154.15 161.13 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.340000000000003 110.848 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -176.48 171.21 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 75.5 110.844 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 163.87 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 73.129999999999995 110.913 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 132.04 26.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 110.894 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.63 123.9 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.209999999999994 111.118 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -107.75 -78.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 70.329999999999998 110.932 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 177.96 153.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 75.549999999999997 111.093 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.82 -168.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.230000000000004 110.783 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 m -92.53 -169.06 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.450000000000003 110.846 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.23 -170.59 46.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 50.109999999999999 112.509 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.89 -177.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 72.329999999999998 110.924 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -98.71 -7.48 27.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 73.219999999999999 110.941 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -54.13 -29.55 45.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 74.010000000000005 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -71.56 -36.3 70.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 73.510000000000005 110.844 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.51 -25.0 50.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 71.510000000000005 110.804 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.8 -35.77 57.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 74.420000000000002 110.936 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.8 m -56.09 -21.12 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 73.439999999999998 111.105 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -60.6 -49.79 76.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 75.329999999999998 110.868 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttm -72.64 -40.66 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.867 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -54.52 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 71.010000000000005 110.951 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.74 -34.93 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 60.409999999999997 111.122 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -52.29 -35.28 49.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 73.099999999999994 110.88 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 62.9 m -72.2 -32.25 66.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 62.420000000000002 110.869 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.8 96.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 74.209999999999994 111.069 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.3 -50.38 33.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 73.209999999999994 110.924 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 125.53 85.53 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 74.519999999999996 112.47 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.0 mm . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.35 . . . . 75.319999999999993 111.173 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.845 0.355 . . . . 73.200000000000003 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -159.52 26.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.861 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -59.07 150.42 24.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 111.126 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.34 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.473 . . . . 73.299999999999997 110.939 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -179.15 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 110.938 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -63.41 134.2 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 71.030000000000001 110.866 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.4 t -91.47 141.35 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 73.5 111.081 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -68.69 85.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 74.530000000000001 110.936 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 p -128.24 178.4 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 74.140000000000001 111.198 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.37 88.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 63.210000000000001 110.855 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.34 86.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.757 . . . . 72.299999999999997 112.446 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.33 126.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.996 0.427 . . . . 75.299999999999997 110.8 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -179.23 156.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 75.140000000000001 110.954 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.7 p -137.67 116.05 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 73.140000000000001 111.143 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 70.53 -70.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 71.239999999999995 110.829 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.02 20.69 0.36 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.695 -0.764 . . . . 64.129999999999995 112.447 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.53 -179.17 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 74.120000000000005 110.959 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -136.81 134.78 37.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 64.049999999999997 110.937 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.75 158.86 43.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.340000000000003 111.153 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -124.92 130.11 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 74.299999999999997 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.1 136.8 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 71.420000000000002 111.096 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 24' ' ' TYR . 1.7 p90 -128.25 178.51 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.219999999999999 110.909 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.74 146.29 30.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 61.219999999999999 111.135 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.41 140.76 35.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 74.439999999999998 110.895 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 t -150.23 135.06 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.156 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -128.15 133.88 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.855 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t0 69.04 10.48 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 110.852 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.42 20.75 34.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 55.130000000000003 112.522 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -149.61 155.08 39.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 71.109999999999999 110.869 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.06 108.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 71.319999999999993 111.125 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -68.9 -59.4 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.349999999999994 110.85 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -142.21 175.18 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.886 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.61 118.88 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 74.010000000000005 110.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.74 142.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 64.209999999999994 110.833 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.94 -168.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 72.319999999999993 111.109 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -156.63 153.95 29.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.877 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.07 155.42 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 111.14 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.71 157.79 20.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 54.32 112.45 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.14 31.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.756 0.312 . . . . 72.140000000000001 110.857 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -77.8 154.64 80.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.556 0.693 . . . . 75.510000000000005 110.866 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -47.93 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.685 2.256 . . . . 75.150000000000006 112.371 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.65 -27.09 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 74.099999999999994 111.052 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.34 -45.29 8.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 111.182 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.97 -36.98 65.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 72.420000000000002 111.166 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 t -63.62 -16.46 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 111.146 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.1 mtm -107.7 18.92 20.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.857 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 63.99 -83.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 74.129999999999995 110.829 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -148.45 15.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 73.530000000000001 110.913 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.19 -30.83 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 75.439999999999998 111.225 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.87 -52.08 11.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 73.030000000000001 111.095 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.32 -20.74 37.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 63.420000000000002 112.55 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -72.44 -54.96 7.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.778 0.323 . . . . 65.219999999999999 110.847 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mt -74.14 -32.32 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 111.095 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.31 -33.54 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 111.095 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.63 83.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 75.5 111.061 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.64 -31.92 27.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.140000000000001 111.155 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.24 -60.56 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 71.150000000000006 110.969 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -61.49 -34.34 75.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 75.010000000000005 110.924 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.77 90.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.0 111.055 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.25 -45.71 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 74.349999999999994 111.158 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -53.17 -46.86 69.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 110.924 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -77.26 -32.37 55.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 110.903 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.83 -37.61 44.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.420000000000002 111.123 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.1 t -70.78 -28.78 64.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 72.329999999999998 110.843 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -74.87 -45.63 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.450000000000003 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.6 mp -76.58 -4.72 44.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.965 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.9 19.27 73.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.69 -0.766 . . . . 75.450000000000003 112.567 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 m -110.27 157.87 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 71.400000000000006 111.133 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.92 -169.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.852 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -145.07 -179.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.200000000000003 111.145 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 70.140000000000001 110.872 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.972 0.415 . . . . 73.239999999999995 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.5 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 74.230000000000004 111.074 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.94 -20.76 72.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 74.019999999999996 112.517 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 mm -58.71 -20.44 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 75.549999999999997 111.177 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.14 73.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 111.165 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -71.92 -39.44 69.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.48 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 2.4 t90 -78.15 -39.11 42.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 110.889 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.39 -29.66 16.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 70.319999999999993 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 74.329999999999998 111.086 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.962 0.41 . . . . 64.25 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.401 ' HB ' ' HA ' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -53.2 -26.91 19.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.439999999999998 111.095 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -52.46 30.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 74.510000000000005 110.873 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.4 -42.56 64.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 73.400000000000006 111.101 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -52.74 -36.18 57.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 73.030000000000001 110.96 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.05 -28.36 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 75.340000000000003 111.117 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -74.89 -42.33 58.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 110.858 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 56.6 mt -54.71 -22.24 13.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 64.299999999999997 110.896 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 ttp -51.31 -66.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 75.319999999999993 110.903 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -56.94 -29.52 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 75.329999999999998 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -48.19 62.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 74.519999999999996 110.934 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -127.07 36.31 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 64.200000000000003 110.926 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.09 163.57 27.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 75.150000000000006 110.904 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.47 -55.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.814 -0.708 . . . . 62.409999999999997 112.418 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -31.31 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 75.120000000000005 111.122 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -126.33 177.94 6.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.458 . . . . 74.140000000000001 110.946 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.8 148.62 28.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 72.230000000000004 110.899 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -159.12 164.53 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 65.319999999999993 110.88 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.7 -176.16 6.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.95 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -50.67 161.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 72.430000000000007 110.928 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.7 126.18 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 111.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.88 -78.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.982 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.48 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 175.82 165.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 62.200000000000003 111.093 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 54.23 -166.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 74.019999999999996 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m 67.72 128.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 70.209999999999994 110.811 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.07 99.58 0.82 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.767 -0.73 . . . . 61.509999999999998 112.56 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.72 -68.35 0.61 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.74 0.305 . . . . 74.340000000000003 110.917 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -102.02 -33.91 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.439999999999998 110.935 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -51.26 -31.3 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 72.319999999999993 110.86 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -42.49 42.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -24.31 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 55.350000000000001 110.854 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -51.66 -30.82 23.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.834 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 m -56.0 -24.2 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 53.340000000000003 111.126 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -60.68 -49.6 76.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 73.129999999999995 110.82 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -44.82 62.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 74.010000000000005 110.86 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.51 80.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.819 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.74 -34.22 64.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 70.200000000000003 111.109 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -52.38 -40.0 61.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 73.010000000000005 110.999 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.3 m -57.57 -32.31 67.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 73.019999999999996 110.841 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -53.28 -42.08 66.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.150000000000006 111.134 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.95 -60.87 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 72.120000000000005 110.952 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 142.39 39.16 0.07 OUTLIER Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.683 -0.77 . . . . 61.340000000000003 112.396 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 74.420000000000002 111.124 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.784 0.326 . . . . 72.239999999999995 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -159.28 29.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.937 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 p -53.74 156.1 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 74.299999999999997 111.163 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -53.23 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.857 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -155.27 -76.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 74.409999999999997 110.904 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -85.78 155.6 20.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 64.040000000000006 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.11 143.14 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.530000000000001 111.104 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -69.77 80.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 74.439999999999998 110.906 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.2 p -113.84 179.11 4.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 74.310000000000002 111.173 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.19 -169.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 70.400000000000006 110.849 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.3 68.67 1.46 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.749 -0.739 . . . . 54.32 112.499 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -160.94 137.93 8.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.903 0.382 . . . . 74.510000000000005 110.875 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -179.23 165.55 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 73.209999999999994 110.857 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 p -136.16 115.41 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 72.439999999999998 111.118 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 70.38 -70.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 70.010000000000005 110.934 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.12 23.01 0.21 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.712 -0.756 . . . . 74.209999999999994 112.446 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -175.76 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 75.409999999999997 110.936 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -110.3 134.65 52.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 65.329999999999998 110.907 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.45 173.04 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 75.510000000000005 111.028 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -148.8 130.73 15.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 71.120000000000005 110.853 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.79 169.48 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 111.113 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.84 168.0 26.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.965 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.3 123.41 50.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 72.140000000000001 111.13 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -109.39 136.81 48.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 74.140000000000001 110.9 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -143.86 129.33 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 72.549999999999997 111.135 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -124.6 136.02 53.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 73.420000000000002 110.952 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 66.88 12.84 9.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 75.140000000000001 110.865 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.89 23.98 33.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 42.100000000000001 112.425 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.44 159.33 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 72.219999999999999 110.916 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.32 122.37 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 75.329999999999998 111.129 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -107.64 -47.34 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.450000000000003 110.836 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -130.24 175.12 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 110.897 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -175.85 104.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 75.439999999999998 110.878 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.88 162.46 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 74.510000000000005 110.824 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.59 170.34 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 72.019999999999996 111.059 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.43 158.86 44.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 64.430000000000007 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -116.89 168.38 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.019999999999996 111.139 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.66 -156.22 16.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 64.109999999999999 112.425 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.78 33.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 74.209999999999994 110.881 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -94.61 154.32 40.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.586 0.708 . . . . 75.030000000000001 110.841 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -48.63 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.635 2.223 . . . . 74.319999999999993 112.326 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.92 -15.96 63.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 70.219999999999999 111.075 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.54 -23.06 15.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 111.185 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.54 -31.63 22.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.129999999999995 111.087 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.8 t -71.8 -18.19 62.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 111.143 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.2 mmt -89.35 9.74 25.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 71.420000000000002 110.899 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.0 mtm-85 70.01 -72.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 75.349999999999994 110.918 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -161.33 21.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 64.519999999999996 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 t -74.51 -42.87 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 72.010000000000005 111.152 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.65 -26.87 58.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 74.540000000000006 111.142 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.98 -51.74 17.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 54.439999999999998 112.483 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -53.16 -48.01 68.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 74.109999999999999 110.878 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.41 -31.19 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 70.549999999999997 111.162 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.06 -44.73 21.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 55.43 111.079 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.1 -51.2 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 74.409999999999997 111.125 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.3 -29.24 22.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 71.040000000000006 111.13 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.4 -67.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 73.040000000000006 110.961 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -59.29 -22.22 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 72.340000000000003 110.858 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.42 84.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.25 111.091 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -76.05 -43.28 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 74.439999999999998 111.125 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -51.64 -49.69 61.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 74.420000000000002 110.85 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -76.9 -31.13 56.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 74.319999999999993 110.856 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.29 -33.38 41.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 53.200000000000003 111.142 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.3 t -75.57 -28.59 59.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 64.109999999999999 110.887 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -71.25 -41.87 69.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.209999999999994 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mp -78.46 -2.27 37.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 74.019999999999996 110.927 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.94 59.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 74.219999999999999 112.497 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 m -100.78 174.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 75.239999999999995 111.151 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 149.29 45.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 65.340000000000003 110.974 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 pt -100.06 131.52 47.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 74.129999999999995 111.071 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 74.200000000000003 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.888 0.375 . . . . 75.120000000000005 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.9 164.39 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 64.439999999999998 111.088 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.8 -19.16 35.09 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.856 -0.688 . . . . 74.310000000000002 112.457 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.456 ' HA ' ' CZ3' ' A' ' 84' ' ' TRP . 4.6 mp -68.89 -46.19 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 74.25 111.097 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.11 -5.97 42.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.200000000000003 111.15 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -81.57 -59.27 2.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.319999999999993 110.833 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.468 ' O ' ' CD1' ' A' ' 84' ' ' TRP . 0.0 OUTLIER -84.97 -10.81 56.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 72.209999999999994 110.9 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 115' ' ' VAL . . . -48.58 -29.19 4.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 71.450000000000003 111.091 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 55.140000000000001 111.124 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.931 0.396 . . . . 72.540000000000006 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -27.04 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.150000000000006 111.17 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.84 -41.63 45.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.06 -35.19 15.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.109999999999999 111.02 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -53.86 -51.35 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 75.150000000000006 110.926 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.64 -30.89 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.120000000000005 111.147 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -74.54 -53.01 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 63.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt -58.94 -27.41 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.510000000000005 110.894 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.7 ttp -51.95 -67.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 72.140000000000001 110.798 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.85 -30.03 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.319999999999993 110.903 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -46.33 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.329999999999998 110.839 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -130.92 35.74 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.945 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -83.35 128.41 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 75.099999999999994 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.76 -21.02 0.38 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 72.319999999999993 112.455 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -33.23 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 71.530000000000001 111.189 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.54 177.2 4.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 75.409999999999997 110.93 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.76 147.95 52.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 71.120000000000005 110.881 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.74 140.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 71.450000000000003 110.874 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -75.21 169.16 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.040000000000006 110.85 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -51.53 165.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 75.5 110.876 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -153.13 129.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.409999999999997 111.139 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.435 ' N ' ' HE1' ' A' ' 84' ' ' TRP . 6.7 mttm -90.65 -81.56 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.501 . . . . 74.409999999999997 110.962 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 172.43 176.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.530000000000001 111.122 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 64.36 -169.98 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 74.430000000000007 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.22 -174.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 71.129999999999995 110.892 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.19 118.24 2.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 42.539999999999999 112.431 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -138.29 -158.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 74.010000000000005 110.908 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.14 -1.31 11.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 73.530000000000001 110.923 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 126' ' ' TYR . 0.6 OUTLIER -50.07 -30.17 10.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 71.450000000000003 110.914 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -66.91 -39.08 87.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 73.019999999999996 110.828 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -24.28 14.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 55.350000000000001 110.893 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 123' ' ' PHE . 4.0 t80 -51.59 -39.07 57.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 72.349999999999994 110.943 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 28.8 m -55.38 -24.73 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 75.439999999999998 111.187 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.18 -52.8 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 63.229999999999997 110.88 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 9.4 ttp -72.19 -40.12 68.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.219999999999999 110.892 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -38.75 87.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 73.549999999999997 110.915 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.17 65.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 72.400000000000006 111.031 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -52.37 -40.48 62.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 74.219999999999999 110.886 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -32.45 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.833 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.49 -27.82 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.439999999999998 111.087 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.01 -38.31 11.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 74.099999999999994 110.933 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 115.28 36.6 1.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 75.439999999999998 112.46 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.5 mm . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 72.329999999999998 111.123 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.757 0.313 . . . . 74.239999999999995 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -100.72 82.59 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.847 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -128.12 137.47 52.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 111.089 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -68.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 64.120000000000005 110.862 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -162.7 -79.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.876 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.79 158.12 36.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 65.209999999999994 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.5 t -105.35 146.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.142 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -69.0 79.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.209999999999994 110.942 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -135.69 157.58 46.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 74.120000000000005 111.133 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.15 88.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 75.129999999999995 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.93 79.85 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.733 . . . . 74.140000000000001 112.529 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.04 135.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 64.5 110.878 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -170.63 154.85 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 74.0 110.955 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.69 122.5 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 74.120000000000005 111.138 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t30 62.61 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 71.239999999999995 110.883 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.59 19.66 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 50.539999999999999 112.469 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -175.83 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 74.519999999999996 110.944 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -136.77 134.88 37.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 73.129999999999995 110.897 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.27 161.32 38.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 64.329999999999998 111.105 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -134.12 130.8 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 75.030000000000001 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.89 160.62 36.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.219999999999999 111.084 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -161.32 150.72 16.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 73.519999999999996 110.971 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.54 122.0 33.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 65.230000000000004 111.095 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -109.87 113.65 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 75.319999999999993 110.928 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.7 t -126.89 133.02 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 54.119999999999997 111.101 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -132.18 138.69 48.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.329999999999998 110.959 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 67.03 12.57 9.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 64.519999999999996 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.14 22.59 37.64 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.728 -0.749 . . . . 74.120000000000005 112.524 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -149.56 157.64 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 73.230000000000004 110.885 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.13 116.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 111.176 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -93.79 -42.2 9.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 70.120000000000005 110.828 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -131.52 168.83 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 64.420000000000002 110.943 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.64 90.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 74.540000000000006 110.833 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.18 108.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.540000000000006 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.03 -178.43 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 74.310000000000002 111.056 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -154.47 130.84 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.310000000000002 110.831 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.5 t -102.08 155.25 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.340000000000003 111.134 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.02 170.33 13.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 70.420000000000002 112.438 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.98 28.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 73.540000000000006 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -74.41 156.0 87.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 65.409999999999997 110.864 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.65 -48.58 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 71.230000000000004 112.428 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.07 -23.56 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.409999999999997 111.092 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.22 -59.33 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.03 -34.05 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 74.140000000000001 111.147 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -62.63 -32.23 73.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.219999999999999 111.125 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 78.9 mmm -95.15 19.57 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 72.340000000000003 110.897 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 63.1 -167.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 110.938 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -70.46 -8.78 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 71.200000000000003 110.85 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.2 t -51.91 -42.38 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 65.129999999999995 111.116 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.69 -21.31 57.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 65.200000000000003 111.14 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.4 -51.61 7.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 44.340000000000003 112.45 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.4 -49.98 63.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 75.409999999999997 110.973 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mt -65.23 -31.08 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 73.140000000000001 111.18 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.56 -46.26 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 70.200000000000003 111.148 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.57 -53.11 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.109999999999999 111.128 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.44 -29.36 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.310000000000002 111.066 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.42 -67.57 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 62.210000000000001 110.983 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -58.23 -23.33 55.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.74 97.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 71.409999999999997 111.05 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.5 t -76.35 -43.42 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 72.420000000000002 111.14 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -51.68 -50.04 61.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 74.239999999999995 110.905 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -32.57 58.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.329999999999998 110.949 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.9 -41.83 58.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 75.230000000000004 111.062 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.8 t -65.37 -28.5 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 70.030000000000001 110.858 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -75.88 -44.89 38.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 64.239999999999995 110.967 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mp -78.43 -6.64 55.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 74.310000000000002 110.935 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.56 33.06 40.19 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.78 -0.724 . . . . 64.439999999999998 112.436 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.2 m -107.62 -32.61 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 74.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.52 -175.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.420000000000002 110.888 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 pt -133.27 134.23 57.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 72.450000000000003 111.195 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.884 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.92 0.39 . . . . 73.230000000000004 110.95 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.6 -173.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 70.510000000000005 111.181 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.99 -46.79 68.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 74.129999999999995 112.475 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.39 -41.2 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 74.109999999999999 111.123 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.27 -5.95 47.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 52.539999999999999 111.133 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -57.12 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.299999999999997 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.44 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.55 -17.21 45.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 71.450000000000003 110.948 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.31 -23.1 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 74.310000000000002 111.143 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.400000000000006 111.103 -179.879 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.875 0.369 . . . . 72.450000000000003 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -27.64 26.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 111.128 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -47.28 48.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 64.510000000000005 110.879 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.74 -36.28 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 73.310000000000002 111.12 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -53.76 -54.37 39.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 110.916 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.93 -30.88 62.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 72.519999999999996 111.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -75.53 -51.31 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 110.944 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.31 -17.68 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 71.439999999999998 110.903 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -66.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 110.899 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -54.49 -29.22 49.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 63.32 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -49.03 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 71.439999999999998 110.93 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -128.46 35.7 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.901 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -84.3 128.69 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 110.831 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.35 -20.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 63.130000000000003 112.534 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -33.62 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 75.319999999999993 111.167 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -109.68 177.37 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.61 150.67 51.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 73.439999999999998 110.864 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -175.87 147.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 71.219999999999999 110.806 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.6 -170.58 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.430000000000007 110.883 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -71.83 130.76 41.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.120000000000005 110.92 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.72 126.38 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 71.150000000000006 111.147 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -100.31 -82.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.510000000000005 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.44 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -179.97 115.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 74.420000000000002 111.1 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -179.36 142.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.319999999999993 110.88 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.62 -168.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 75.140000000000001 110.912 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -161.24 -144.22 3.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 74.5 112.525 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.8 -76.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 73.439999999999998 110.951 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.09 11.19 25.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 73.340000000000003 110.93 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -48.85 -45.55 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 72.019999999999996 110.826 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -76.86 -23.85 52.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.843 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -71.67 -22.38 61.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 72.319999999999993 110.867 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.15 -45.22 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 110.945 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.03 -23.13 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 75.129999999999995 111.166 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.45 -47.12 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.409999999999997 110.84 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 20.2 ttp -72.85 -37.01 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 74.519999999999996 110.895 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -56.1 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.109999999999999 110.873 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.39 -33.49 53.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.239999999999995 111.125 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -51.62 -32.95 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.409999999999997 110.883 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.1 m -67.26 -37.09 82.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.815 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -53.18 -41.27 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 74.099999999999994 111.107 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.73 -44.4 42.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 110.904 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.82 42.1 1.48 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.721 . . . . 73.430000000000007 112.535 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 62.140000000000001 111.122 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.905 0.384 . . . . 74.109999999999999 110.802 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -81.83 111.01 17.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.092 -0.503 . . . . 75.019999999999996 110.825 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 p -152.57 -83.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.219999999999999 111.175 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.27 63.36 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 75.219999999999999 110.92 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -178.7 152.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 73.219999999999999 110.938 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.51 154.22 21.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 64.439999999999998 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 81.8 t -90.05 145.32 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 74.219999999999999 111.103 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.32 78.84 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 74.200000000000003 110.937 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -138.23 172.95 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 75.430000000000007 111.148 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.81 100.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 74.040000000000006 110.822 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.68 91.0 0.47 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 64.219999999999999 112.437 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.27 133.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 75.200000000000003 110.875 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -179.19 142.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 110.964 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.67 122.92 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 62.25 111.181 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t30 62.56 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 71.329999999999998 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.6 18.17 1.0 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 73.450000000000003 112.515 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.55 175.23 5.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.84 0.352 . . . . 73.120000000000005 110.865 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -134.81 134.62 41.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.120000000000005 110.847 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.46 165.66 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 74.420000000000002 111.067 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.0 p90 -144.43 130.7 19.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 75.430000000000007 110.913 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.8 169.21 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.200000000000003 111.145 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.81 158.15 25.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.540000000000006 110.879 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.56 127.99 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 62.219999999999999 111.093 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -109.11 139.9 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 65.530000000000001 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 t -142.27 132.26 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.140000000000001 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -128.94 133.58 47.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.530000000000001 110.939 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.32 12.52 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 72.209999999999994 110.805 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.81 26.33 24.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.701 -0.761 . . . . 54.119999999999997 112.442 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -149.75 164.82 34.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 74.019999999999996 110.891 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.16 122.54 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 111.151 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -107.55 -45.96 3.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 75.030000000000001 110.869 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -130.24 179.74 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.010000000000005 110.945 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -179.3 100.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.879 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.69 177.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 62.520000000000003 110.826 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.81 -170.19 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 65.439999999999998 111.043 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -155.1 140.73 17.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 110.807 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -102.2 155.48 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 111.137 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.58 -170.09 14.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 72.310000000000002 112.5 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.86 31.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 75.219999999999999 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.31 155.52 66.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.633 0.73 . . . . 74.409999999999997 110.897 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.652 2.234 . . . . 63.149999999999999 112.371 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.59 -24.9 65.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.239999999999995 111.11 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.98 -34.59 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 72.120000000000005 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.6 -25.69 57.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 111.086 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -74.17 -7.49 52.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.212 -0.449 . . . . 74.049999999999997 111.113 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.87 22.55 13.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 74.439999999999998 110.92 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 64.16 -81.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.319999999999993 110.834 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -154.49 20.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.129999999999995 110.84 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.6 t -73.01 -38.94 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 111.116 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.16 -27.25 56.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 63.130000000000003 111.092 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.94 -49.73 15.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 72.310000000000002 112.484 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.28 -48.62 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 72.430000000000007 110.904 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mt -74.55 -31.34 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.5 111.075 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.6 -31.87 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 63.420000000000002 111.132 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.69 -53.37 58.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 53.439999999999998 111.108 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -39.67 61.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 111.149 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.31 -66.99 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 73.010000000000005 110.916 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -66.07 -23.33 66.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.465 . . . . 74.409999999999997 110.94 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.45 89.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 73.219999999999999 111.128 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.9 t -76.27 -45.49 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 72.239999999999995 111.094 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -51.67 -48.07 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 71.340000000000003 110.891 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -30.28 63.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 75.099999999999994 110.899 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.58 -34.02 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 73.019999999999996 111.114 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -73.14 -30.16 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 45.32 110.806 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.29 -37.9 78.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.209999999999994 110.888 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.98 -10.84 37.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.933 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 55.28 32.63 57.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 63.240000000000002 112.463 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 m -105.84 -29.93 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.942 0.401 . . . . 73.099999999999994 111.178 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.6 -169.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 64.540000000000006 110.859 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.5 pt -139.69 173.11 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.540000000000006 111.147 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 110.914 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.926 0.393 . . . . 73.200000000000003 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 51.93 -168.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 71.230000000000004 111.094 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.32 -25.61 73.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.805 -0.712 . . . . 72.230000000000004 112.506 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.96 -46.12 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 74.219999999999999 111.178 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.29 -8.75 52.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 111.113 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.31 -57.1 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.120000000000005 110.872 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -16.57 47.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.430000000000007 110.956 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -16.39 46.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.040000000000006 111.063 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 111.079 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.876 0.369 . . . . 61.240000000000002 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -42.21 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.119999999999997 111.168 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -47.32 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.310000000000002 110.931 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.27 -33.51 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 75.129999999999995 111.047 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -53.43 -54.62 34.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 73.200000000000003 110.972 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.05 62.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 75.010000000000005 111.113 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -74.55 -47.01 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 70.439999999999998 110.861 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.62 -16.89 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 110.909 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.0 ttp -57.36 -66.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.049999999999997 110.862 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -52.09 -31.83 32.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 70.129999999999995 110.816 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -48.82 67.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 72.140000000000001 110.963 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -116.79 28.89 8.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 71.140000000000001 110.913 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -83.19 125.22 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 73.439999999999998 110.864 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.45 -20.98 0.4 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.74 . . . . 75.340000000000003 112.524 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.21 -34.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 73.120000000000005 111.076 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -122.21 178.31 4.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.931 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.53 148.27 32.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 52.439999999999998 110.843 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.3 171.92 19.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.510000000000005 110.958 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.73 -170.0 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 110.866 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -94.49 117.08 29.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 74.239999999999995 110.913 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.1 m -104.32 139.76 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 71.109999999999999 111.126 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.5 -78.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 73.540000000000006 110.891 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 176.97 101.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 74.450000000000003 111.056 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -176.66 170.67 2.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.899 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 -169.41 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 65.239999999999995 110.817 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.04 -143.95 3.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 74.349999999999994 112.49 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -77.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 74.340000000000003 110.881 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -110.39 11.73 23.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.439999999999998 110.928 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -48.16 -44.89 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.510000000000005 110.873 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -74.63 -40.16 61.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 74.549999999999997 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.41 -24.77 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 110.899 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.7 -38.07 60.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 71.319999999999993 110.886 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 20.9 m -56.04 -21.56 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 64.400000000000006 111.053 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.83 -48.99 74.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 71.439999999999998 110.919 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 6.7 ttp -68.87 -44.81 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.409999999999997 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -53.29 57.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.450000000000003 110.904 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.34 -33.63 54.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 45.509999999999998 111.071 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -52.26 -32.15 35.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.446 . . . . 72.030000000000001 110.845 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.7 p -75.6 -31.49 59.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 72.129999999999995 110.864 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.09 -42.87 73.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 65.150000000000006 111.064 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.87 -48.97 62.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 74.349999999999994 110.895 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 124.06 30.14 1.05 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.768 -0.73 . . . . 64.140000000000001 112.48 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 27.8 mm . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 75.239999999999995 111.184 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.8 0.333 . . . . 75.430000000000007 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -157.53 23.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 75.510000000000005 110.911 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -88.59 148.36 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.019999999999996 111.125 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -145.11 21.89 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 65.420000000000002 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -121.47 157.11 31.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.349999999999994 110.905 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.63 151.05 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 70.049999999999997 110.863 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -91.23 142.49 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 111.116 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -69.71 80.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.974 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 p -131.46 177.79 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 73.120000000000005 111.132 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.54 106.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.510000000000005 110.847 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.87 -150.6 19.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 72.230000000000004 112.495 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p 64.36 156.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 73.549999999999997 110.868 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -176.69 166.27 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.945 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 p -141.87 113.46 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 71.340000000000003 111.095 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 69.55 -72.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 74.310000000000002 110.886 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.44 25.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.728 . . . . 64.040000000000006 112.484 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.67 -175.79 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 70.230000000000004 110.908 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -105.37 135.72 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 72.519999999999996 110.911 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.53 164.17 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 75.329999999999998 111.092 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -144.26 130.39 19.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 75.510000000000005 110.927 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.01 175.11 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 74.239999999999995 111.136 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.97 170.94 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 75.329999999999998 110.845 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.91 125.42 54.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 62.119999999999997 111.095 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -110.97 140.06 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.439999999999998 110.863 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -144.89 128.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.120000000000005 111.126 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -124.91 134.53 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.519999999999996 110.899 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t0 67.1 12.5 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 61.549999999999997 110.889 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.41 26.39 25.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 44.0 112.541 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.64 162.78 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 75.310000000000002 110.861 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.45 119.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 71.019999999999996 111.074 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -107.68 -50.61 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.858 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -130.22 166.43 20.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 73.209999999999994 110.896 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -179.34 108.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.319999999999993 110.878 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.61 135.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.349999999999994 110.854 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.37 176.66 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 111.174 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -159.37 145.18 16.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 74.540000000000006 110.842 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 m -110.17 175.03 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 65.310000000000002 111.141 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.59 -157.01 9.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 73.299999999999997 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.6 52.03 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.767 0.317 . . . . 70.319999999999993 110.959 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -113.14 157.14 41.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 63.409999999999997 110.877 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -48.35 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.745 2.297 . . . . 75.219999999999999 112.288 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.49 67.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 74.209999999999994 111.101 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.37 12.93 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.150000000000006 111.106 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.33 19.17 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 62.039999999999999 111.133 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -126.48 11.89 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 63.32 111.14 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.43 22.89 7.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 73.010000000000005 110.845 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 72.12 -73.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 75.25 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -172.34 23.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 65.120000000000005 110.845 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -76.09 -33.63 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.209999999999994 111.191 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.27 -53.42 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 73.129999999999995 111.088 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.18 -26.26 42.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 72.150000000000006 112.476 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -69.39 -54.75 12.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 75.430000000000007 110.899 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.9 mt -69.67 -30.56 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 75.439999999999998 111.133 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.47 -44.64 17.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 73.019999999999996 111.072 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.36 -50.25 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.105 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.33 -32.89 40.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 73.040000000000006 111.115 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mt -67.9 -67.13 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -56.93 -24.36 51.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.872 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.81 -40.54 88.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 64.420000000000002 111.051 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.6 t -76.26 -40.69 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 73.329999999999998 111.085 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -51.42 -48.0 62.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 75.109999999999999 110.867 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -72.96 -29.26 62.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.439999999999998 110.906 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.18 -32.53 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.230000000000004 111.095 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.4 t -75.94 -28.0 57.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.310000000000002 110.908 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -40.54 63.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 74.129999999999995 110.883 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.93 -6.81 59.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 73.519999999999996 110.904 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.39 20.49 69.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 64.239999999999995 112.477 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 m -110.9 -171.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 75.200000000000003 111.105 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.08 168.17 20.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.875 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.5 pt -120.48 179.65 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.530000000000001 111.125 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 72.540000000000006 110.879 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.937 0.399 . . . . 75.120000000000005 110.952 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.45 -168.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 71.519999999999996 111.084 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.42 -1.8 68.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 62.039999999999999 112.512 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.09 -38.33 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 62.399999999999999 111.117 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.34 -5.57 45.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.5 111.102 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -57.51 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.200000000000003 110.853 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.439 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.58 -13.79 55.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 74.319999999999993 110.918 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.14 -26.53 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 73.049999999999997 111.091 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.319999999999993 111.136 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.951 0.405 . . . . 73.099999999999994 110.848 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.14 -27.96 23.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 111.162 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -47.12 49.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.040000000000006 110.942 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.58 -33.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 73.439999999999998 111.102 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -53.47 -54.52 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.430000000000007 110.97 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.51 58.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 74.040000000000006 111.097 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -74.54 -52.23 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.882 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.9 -33.22 71.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 73.439999999999998 110.87 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.75 -67.36 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 75.299999999999997 110.844 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -53.47 -31.16 44.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.349999999999994 110.901 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -41.19 62.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 110.968 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.1 39.21 2.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 74.409999999999997 110.935 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.75 7.57 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 73.099999999999994 110.869 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.61 -6.01 61.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 71.109999999999999 112.507 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -40.66 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.384 . . . . 74.430000000000007 111.13 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -121.5 177.71 5.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 75.239999999999995 110.885 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.98 154.04 39.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 73.409999999999997 110.835 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -163.43 138.04 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.71 159.7 0.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 71.200000000000003 110.89 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -51.67 132.71 31.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.400000000000006 110.966 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.7 92.64 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 73.150000000000006 111.149 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -76.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 73.120000000000005 110.92 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.439 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 179.0 164.36 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 72.409999999999997 111.092 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -163.29 -169.25 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.530000000000001 110.893 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.7 m -110.36 -74.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 61.119999999999997 110.883 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -166.61 165.36 38.33 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.702 -0.761 . . . . 55.109999999999999 112.518 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -179.7 -179.4 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 74.349999999999994 110.935 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -101.91 2.36 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.049999999999997 110.851 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -55.61 -29.74 59.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.894 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -71.25 -38.41 71.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.340000000000003 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -25.93 18.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 54.020000000000003 110.802 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.66 -34.33 51.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 75.129999999999995 110.91 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 29.3 m -55.23 -23.89 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 75.409999999999997 111.102 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -60.95 -50.5 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 63.420000000000002 110.872 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.1 ttp -69.9 -49.56 50.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -50.77 68.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 75.510000000000005 110.892 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.35 -38.37 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.109999999999999 111.095 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -32.4 40.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.209999999999994 110.895 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.7 m -74.32 -36.26 63.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 63.119999999999997 110.876 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.22 -33.67 59.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.209999999999994 111.131 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.55 -24.86 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.049999999999997 110.851 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 99.6 20.71 16.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 63.030000000000001 112.474 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 71.519999999999996 111.119 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.807 0.337 . . . . 71.219999999999999 110.851 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -138.89 27.69 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 74.430000000000007 110.848 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -79.62 168.75 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 73.040000000000006 111.135 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 178.46 35.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 75.439999999999998 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -135.08 -108.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.905 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -152.13 156.66 40.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 71.129999999999995 110.845 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.41 142.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.239999999999995 111.132 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -71.1 78.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.120000000000005 110.958 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 p -136.16 158.45 44.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 72.540000000000006 111.163 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 65.26 76.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 71.439999999999998 110.847 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.76 88.23 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.752 -0.737 . . . . 61.240000000000002 112.458 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.58 158.69 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 73.329999999999998 110.887 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -179.4 156.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.844 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 p -141.73 112.24 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 74.120000000000005 111.14 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 69.69 -71.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.25 110.858 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.32 25.15 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 74.530000000000001 112.516 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.57 -175.61 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.797 0.332 . . . . 75.329999999999998 110.891 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -110.85 134.44 52.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 64.230000000000004 110.891 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.31 172.41 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 73.239999999999995 111.076 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -150.35 130.58 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.907 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.69 163.17 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 70.319999999999993 111.095 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -162.04 145.19 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 63.530000000000001 110.9 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.18 107.19 19.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 71.340000000000003 111.052 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -92.53 137.8 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 75.420000000000002 110.929 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.7 t -148.98 109.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.430000000000007 111.172 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.12 142.66 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 73.319999999999993 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t0 70.72 9.73 6.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 73.219999999999999 110.907 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.36 22.19 45.3 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.676 -0.773 . . . . 72.5 112.496 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -149.5 157.46 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 73.299999999999997 110.912 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.24 129.9 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 74.030000000000001 111.119 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -107.85 -59.48 1.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 63.530000000000001 110.884 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.8 166.65 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 73.329999999999998 110.862 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.14 99.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 75.209999999999994 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.48 -75.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.109999999999999 110.895 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 64.26 109.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 64.450000000000003 111.127 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -146.99 -174.64 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.865 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.17 174.4 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 65.409999999999997 111.157 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.95 169.68 19.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.662 -0.78 . . . . 53.030000000000001 112.438 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -132.61 5.11 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 74.239999999999995 110.916 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -61.5 150.56 80.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.729 . . . . 63.420000000000002 110.868 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -48.84 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.6 2.2 . . . . 74.420000000000002 112.309 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.38 16.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 73.430000000000007 111.057 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.31 -20.2 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.239999999999995 111.08 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.94 16.0 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.230000000000004 111.149 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -123.35 -0.87 8.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 72.329999999999998 111.148 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.24 26.6 8.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.439999999999998 110.925 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 64.01 -83.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.200000000000003 110.766 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -151.92 17.79 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 75.209999999999994 110.825 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.68 -37.72 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.349999999999994 111.111 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.59 -48.63 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 111.161 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.99 -40.86 75.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.801 -0.714 . . . . 71.239999999999995 112.454 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -54.98 -54.09 47.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 75.540000000000006 110.869 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mt -70.42 -31.7 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 63.25 111.134 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.38 -31.83 6.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 111.149 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.89 -53.75 54.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.329999999999998 111.015 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.65 -43.51 65.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 73.140000000000001 111.069 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.2 mt -52.53 -66.96 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.894 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.4 -33.53 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 73.310000000000002 110.974 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.42 -38.06 76.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 74.310000000000002 111.091 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.08 -45.15 30.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 65.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -51.7 -50.29 60.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 65.25 110.89 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -70.89 -27.93 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.140000000000001 110.924 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.32 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.120000000000005 111.065 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 t -76.3 -30.21 57.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 73.019999999999996 110.863 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -63.59 -29.34 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 72.510000000000005 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.57 -10.53 19.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 110.872 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.0 21.98 78.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 74.439999999999998 112.518 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 m -113.56 160.82 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 74.319999999999993 111.165 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 -169.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 pt -137.64 159.78 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 70.430000000000007 111.103 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.530000000000001 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.97 0.414 . . . . 74.019999999999996 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.0 162.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 62.119999999999997 111.073 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.3 -14.18 59.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.696 -0.764 . . . . 73.319999999999993 112.507 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.1 mm -68.99 -46.22 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 72.150000000000006 111.129 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.52 -10.51 59.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 75.030000000000001 111.14 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -55.53 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 110.867 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -17.38 52.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 71.430000000000007 110.888 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.42 -24.29 19.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.340000000000003 111.089 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 64.230000000000004 111.144 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.5 t80 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.907 0.384 . . . . 74.540000000000006 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.77 -45.58 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 72.140000000000001 111.157 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -43.16 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 71.019999999999996 110.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.58 -31.71 11.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 71.299999999999997 111.102 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.39 -54.78 31.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 73.510000000000005 110.911 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.26 -31.58 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 65.299999999999997 111.162 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -75.51 -45.6 37.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 73.230000000000004 110.953 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.87 -23.74 66.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.140000000000001 110.953 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.6 ttp -52.84 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 110.926 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -53.12 -30.91 39.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 72.219999999999999 110.845 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -43.06 49.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.099999999999994 110.975 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.02 40.6 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.958 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.81 6.28 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 74.120000000000005 110.875 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.28 -6.51 65.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 71.129999999999995 112.536 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.1 -40.42 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 73.340000000000003 111.131 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -121.94 177.48 5.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 110.955 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.4 155.67 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 74.420000000000002 110.926 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.86 124.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 73.430000000000007 110.818 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.54 -178.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 73.349999999999994 110.874 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.12 135.48 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.120000000000005 110.91 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.94 -58.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 111.113 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt 54.59 -168.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 75.530000000000001 110.891 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -109.54 164.94 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 73.450000000000003 111.086 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.29 -67.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 74.140000000000001 110.832 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.8 p 179.34 -175.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 71.140000000000001 110.834 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.82 151.97 19.97 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.658 -0.782 . . . . 70.109999999999999 112.44 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -149.14 -166.84 2.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 63.340000000000003 110.913 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -6.72 48.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.935 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -50.52 -30.53 13.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 73.420000000000002 110.903 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -74.01 -38.79 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 110.915 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.82 -23.65 19.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.450000000000003 110.848 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.27 -37.75 56.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 74.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 27.0 m -57.93 -21.36 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 74.310000000000002 111.088 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -62.57 -53.36 55.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 71.420000000000002 110.931 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 10.7 ttp -72.43 -38.05 68.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.319999999999993 110.91 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -53.32 52.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 73.540000000000006 110.841 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.51 -33.5 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 73.319999999999993 111.171 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -52.07 -29.49 21.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 110.887 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.7 m -77.74 -34.61 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.340000000000003 110.819 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.95 -29.93 70.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 74.209999999999994 111.117 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.0 -43.98 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.109999999999999 110.932 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.88 38.36 2.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.806 -0.711 . . . . 63.409999999999997 112.457 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 28.6 mm . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 72.010000000000005 111.141 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.746 0.308 . . . . 73.120000000000005 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -137.46 28.85 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -54.87 148.84 12.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 74.019999999999996 111.118 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -64.11 -75.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -148.28 -78.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 74.120000000000005 110.897 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -93.15 159.79 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 72.310000000000002 110.91 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.9 t -92.75 144.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.349999999999994 111.11 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -70.71 78.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 110.984 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.3 p -117.7 178.49 4.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.099 -0.501 . . . . 75.200000000000003 111.214 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.08 107.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 75.340000000000003 110.83 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.83 -169.05 29.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 45.310000000000002 112.508 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.78 153.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 73.319999999999993 110.897 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -179.77 164.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 70.299999999999997 110.889 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.25 114.73 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 71.129999999999995 111.175 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 70.17 -71.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.510000000000005 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.32 26.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 74.430000000000007 112.459 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -178.02 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.351 . . . . 63.020000000000003 110.934 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -106.37 134.25 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 110.904 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.98 164.92 19.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 74.420000000000002 111.071 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -143.56 130.44 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.865 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.98 163.69 32.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 72.109999999999999 111.112 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -162.34 138.42 7.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 75.129999999999995 110.939 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.91 107.06 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 61.340000000000003 111.091 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -93.33 135.77 34.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 110.833 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 t -151.08 108.59 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.25 111.157 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 142.57 42.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 71.219999999999999 110.922 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t0 70.86 9.46 6.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 72.209999999999994 110.848 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.09 24.89 39.14 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.801 -0.714 . . . . 64.310000000000002 112.524 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -149.94 158.61 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 75.030000000000001 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.6 128.64 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 111.179 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -107.57 -42.13 4.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 74.409999999999997 110.846 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -177.95 152.94 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.92 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.87 113.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 74.319999999999993 110.846 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -128.47 -38.82 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 74.530000000000001 110.862 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 65.52 151.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 111.069 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -154.39 176.92 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.219999999999999 110.838 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.49 174.39 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 72.129999999999995 111.123 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.11 -158.0 19.68 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 61.0 112.501 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.09 55.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 72.099999999999994 110.897 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -117.25 153.99 50.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 64.349999999999994 110.921 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -48.68 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 63.549999999999997 112.334 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.0 -32.17 70.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 73.239999999999995 111.069 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.06 -29.86 49.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 65.209999999999994 111.098 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.8 -36.78 36.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 72.430000000000007 111.083 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -71.5 -14.12 62.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 73.400000000000006 111.096 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.42 11.73 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 74.349999999999994 110.915 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 70.19 -72.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.230000000000004 110.835 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -163.99 23.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 73.430000000000007 110.864 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.44 -44.3 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 111.024 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.72 -20.32 58.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 60.32 111.115 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.43 -51.81 7.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 70.540000000000006 112.498 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -53.4 -48.71 68.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 75.239999999999995 110.946 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 mt -67.99 -31.93 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 65.540000000000006 111.18 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.21 -37.91 37.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 65.430000000000007 111.108 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.36 -49.74 76.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 51.039999999999999 111.112 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.06 -29.61 22.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.239999999999995 111.147 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.09 -67.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 110.958 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -59.44 -23.58 62.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.409999999999997 110.898 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.08 95.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 74.109999999999999 111.075 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.7 t -76.42 -43.04 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 75.329999999999998 111.075 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -51.24 -49.97 60.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 75.299999999999997 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -77.53 -30.31 52.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 74.430000000000007 110.904 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.99 -31.58 41.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 71.319999999999993 111.134 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t -75.95 -28.15 57.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 75.239999999999995 110.882 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -69.82 -41.04 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 61.409999999999997 111.0 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.18 -12.51 49.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 75.310000000000002 110.935 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.28 23.93 62.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.69 -0.767 . . . . 74.430000000000007 112.478 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 m -96.33 -32.54 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 71.420000000000002 111.135 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 64.0 -170.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -140.5 -178.55 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 74.349999999999994 111.163 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.420000000000002 110.821 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.7 p90 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.915 0.388 . . . . 72.299999999999997 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.66 21.8 16.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 72.049999999999997 111.133 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.27 -50.94 0.85 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.714 -0.755 . . . . 65.409999999999997 112.449 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.18 -31.29 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 74.5 111.061 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.47 -11.38 60.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 63.32 111.172 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.26 -56.92 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.409999999999997 110.825 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.436 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.45 -13.29 56.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 70.340000000000003 110.973 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.83 -23.45 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 111.11 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 111.129 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.917 0.389 . . . . 74.010000000000005 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -40.96 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.150000000000006 111.171 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -40.1 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 71.219999999999999 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.64 -31.05 10.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.200000000000003 111.114 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -53.84 -54.03 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.109999999999999 110.879 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.9 -30.06 63.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 111.102 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -74.18 -53.19 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.452 . . . . 75.400000000000006 110.856 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.04 -27.11 65.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 73.040000000000006 110.94 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 ttp -54.38 -66.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 74.099999999999994 110.821 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -51.85 -30.85 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 65.340000000000003 110.883 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -46.65 64.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.329999999999998 110.901 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -129.28 36.79 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.914 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -77.6 160.67 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 73.510000000000005 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.43 -50.33 0.88 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.748 -0.739 . . . . 73.25 112.467 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -31.68 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 70.349999999999994 111.159 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -127.55 178.15 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 73.209999999999994 110.93 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.16 155.66 27.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 65.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -148.03 168.66 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 72.239999999999995 110.847 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -177.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.883 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -78.25 60.61 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.519999999999996 110.968 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.4 m -51.47 153.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.453 . . . . 74.150000000000006 111.117 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -133.6 -78.42 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 110.854 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.436 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 177.8 96.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 62.420000000000002 111.086 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -177.16 162.99 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 65.230000000000004 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 t -109.68 -169.23 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.400000000000006 110.837 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -152.16 -141.86 3.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 75.010000000000005 112.425 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.75 -84.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 73.299999999999997 110.928 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.11 11.93 23.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 73.239999999999995 110.897 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -48.15 -39.6 21.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 110.866 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -77.68 -34.5 52.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 75.510000000000005 110.87 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.79 -23.87 60.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 74.239999999999995 110.866 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.74 -39.39 62.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 110.889 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 17.5 m -56.36 -21.92 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 65.109999999999999 111.123 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.04 -51.72 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 110.887 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 9.3 ttp -72.42 -41.62 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.519999999999996 110.889 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -53.43 57.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 74.040000000000006 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.43 -33.79 55.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 63.009999999999998 111.115 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -31.08 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.329999999999998 110.912 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 m -78.73 -32.4 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 110.883 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.12 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 54.329999999999998 111.057 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -61.91 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 71.310000000000002 110.96 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 141.09 67.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 74.219999999999999 112.486 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 35.8 mm . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 75.319999999999993 111.081 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.879 0.371 . . . . 75.25 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -149.35 18.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.040000000000006 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p -82.58 147.27 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 111.15 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -141.36 25.1 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 110.825 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.91 168.41 13.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 73.430000000000007 110.916 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -51.51 154.51 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 74.430000000000007 110.861 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.4 t -91.27 144.45 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 71.019999999999996 111.134 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -70.18 79.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.958 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.2 p -107.82 179.88 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 62.450000000000003 111.156 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 40.78 77.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 74.150000000000006 110.919 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.23 -148.37 3.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 61.219999999999999 112.515 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.27 -170.04 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.889 0.376 . . . . 71.299999999999997 110.825 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -136.5 -177.09 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 75.099999999999994 110.94 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.26 115.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 75.030000000000001 111.096 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 70.31 -70.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 72.109999999999999 110.869 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.77 25.15 0.16 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 74.010000000000005 112.491 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.43 -175.65 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 73.040000000000006 110.956 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -125.67 135.2 51.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 75.420000000000002 110.917 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.65 125.14 31.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.209999999999994 111.079 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -110.21 130.7 55.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.226 -0.443 . . . . 65.530000000000001 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.72 163.63 29.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.519999999999996 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.17 167.63 21.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 75.239999999999995 110.941 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.37 108.53 20.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 111.14 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -104.5 139.8 38.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 110.901 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 t -152.46 133.01 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 64.510000000000005 111.118 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -122.24 124.42 43.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.549999999999997 110.942 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.41 13.92 9.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.291 -0.413 . . . . 71.549999999999997 110.9 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.88 27.91 22.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 73.409999999999997 112.452 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.96 -179.09 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 73.209999999999994 110.92 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.1 99.77 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.409999999999997 111.105 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -85.63 -56.64 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 110.826 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -131.06 147.18 52.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 74.120000000000005 110.889 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -157.03 59.31 0.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.52 . . . . 73.5 110.828 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.58 103.03 4.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 74.409999999999997 110.903 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.1 -170.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 72.310000000000002 111.056 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -150.98 130.79 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 65.209999999999994 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.4 t -103.91 155.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 75.439999999999998 111.146 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.21 -151.68 14.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 45.130000000000003 112.497 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.35 46.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 73.129999999999995 110.869 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -121.61 153.08 59.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 63.509999999999998 110.878 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -48.53 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.689 2.259 . . . . 73.209999999999994 112.338 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.58 -33.19 69.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.349999999999994 111.104 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.91 -21.52 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.310000000000002 111.111 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.7 19.62 20.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.219999999999999 111.168 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -126.62 -1.56 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.129999999999995 111.131 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 mmt -98.7 35.21 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 74.349999999999994 110.879 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 56.35 31.13 18.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.851 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 64.41 14.78 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.540000000000006 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.2 t -73.2 -43.44 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 111.17 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.52 -30.09 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 73.530000000000001 111.061 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.92 -38.88 75.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 72.140000000000001 112.457 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -52.88 -55.34 23.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 64.129999999999995 110.947 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -75.46 -31.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 75.340000000000003 111.097 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.61 -50.39 17.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 75.349999999999994 111.124 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.53 -49.37 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 71.030000000000001 111.105 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.87 -34.86 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.140000000000001 111.043 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.11 -67.16 0.44 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 74.239999999999995 110.884 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -59.16 -28.67 66.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.230000000000004 110.946 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.65 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 75.319999999999993 111.127 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.3 t -76.27 -44.94 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 65.200000000000003 111.145 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -51.64 -49.45 62.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.530000000000001 110.88 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -77.07 -31.24 55.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 73.439999999999998 110.915 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.08 -33.25 38.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 64.510000000000005 111.053 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.1 t -74.91 -28.54 60.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 61.420000000000002 110.886 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.72 -42.95 63.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.319999999999993 110.899 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 mp -79.01 -2.31 39.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.329999999999998 110.892 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.55 13.1 58.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 33.340000000000003 112.493 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.36 156.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 75.230000000000004 111.147 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.62 149.18 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.87 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.8 pt -100.21 151.95 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 75.230000000000004 111.11 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 75.319999999999993 110.926 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.908 0.385 . . . . 74.340000000000003 110.953 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -174.13 85.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 74.310000000000002 111.124 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -49.57 -30.56 13.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.785 -0.721 . . . . 62.210000000000001 112.407 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.78 -31.74 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 74.540000000000006 111.118 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.39 -7.7 52.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 74.430000000000007 111.087 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -62.13 -57.57 11.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 72.409999999999997 110.875 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.78 -11.83 56.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.186 -0.461 . . . . 72.329999999999998 110.873 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.13 -26.2 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 75.109999999999999 111.083 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 72.340000000000003 111.126 -179.884 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.875 0.369 . . . . 75.200000000000003 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -40.92 59.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 61.109999999999999 111.163 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -40.85 45.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.933 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.18 -36.32 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 111.13 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -53.71 -55.36 26.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 110.928 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.43 -29.76 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 73.349999999999994 111.084 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -76.0 -48.52 20.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.64 -18.37 62.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 74.340000000000003 110.866 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.8 ttt -60.02 -67.22 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 74.310000000000002 110.872 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -56.0 -30.23 61.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 71.510000000000005 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -44.87 54.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.310000000000002 110.939 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -131.73 35.78 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 72.219999999999999 110.896 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -84.73 128.17 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 70.420000000000002 110.859 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 156.94 -20.55 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.735 . . . . 64.530000000000001 112.484 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.07 -33.08 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 64.140000000000001 111.089 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -112.14 167.93 10.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.945 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.46 142.93 47.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.832 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.35 172.1 10.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 54.240000000000002 110.853 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.87 147.14 23.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 74.420000000000002 110.811 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.52 146.66 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 73.439999999999998 110.937 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.89 149.95 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 75.409999999999997 111.18 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -104.69 -80.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.9 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 174.83 127.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 60.43 111.097 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.85 -169.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.329999999999998 110.797 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.38 -168.89 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 64.319999999999993 110.826 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -90.65 -149.5 22.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.773 . . . . 70.140000000000001 112.509 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -178.35 -165.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 64.099999999999994 110.902 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -20.71 14.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.153 -0.476 . . . . 75.209999999999994 110.914 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.46 -30.83 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 64.400000000000006 110.862 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -76.52 -42.47 43.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 63.310000000000002 110.901 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.49 -24.48 8.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 62.310000000000002 110.851 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.63 -30.76 22.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.129999999999995 110.954 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 17.9 m -55.19 -24.07 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 71.329999999999998 111.164 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -53.33 -51.7 61.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 55.039999999999999 110.898 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.5 ttm -73.11 -42.98 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 72.239999999999995 110.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.74 -50.68 67.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 110.86 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.81 -38.33 61.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.150000000000006 111.087 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -53.29 -35.26 59.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 75.109999999999999 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -40.12 30.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.877 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.18 -34.02 68.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 74.319999999999993 111.149 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.12 -55.9 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 71.439999999999998 110.97 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 134.34 83.07 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 71.209999999999994 112.485 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 72.430000000000007 111.124 -179.924 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.776 0.322 . . . . 71.310000000000002 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -98.12 30.31 3.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 74.310000000000002 110.863 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -51.22 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.049999999999997 111.173 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 71.87 -68.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 72.099999999999994 110.879 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -50.38 157.6 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 74.409999999999997 110.905 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -52.93 159.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 62.240000000000002 110.847 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.7 t -90.57 142.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 111.082 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -70.9 78.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.209999999999994 110.981 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.8 p -121.4 178.59 4.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 72.200000000000003 111.118 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 64.11 64.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.049999999999997 110.848 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.8 -3.93 75.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 64.430000000000007 112.45 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t 63.45 -169.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 75.120000000000005 110.835 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -86.63 165.63 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 73.129999999999995 110.918 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -139.86 109.12 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 75.400000000000006 111.128 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 69.62 -71.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.05 20.23 0.35 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.747 -0.739 . . . . 74.420000000000002 112.465 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -129.06 174.74 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 74.439999999999998 110.87 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -133.65 135.31 44.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 73.310000000000002 110.918 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.45 170.95 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 64.400000000000006 111.072 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -139.37 132.48 29.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 110.97 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.64 168.65 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 111.057 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -161.72 147.97 13.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 71.129999999999995 110.934 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.56 107.33 19.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 72.319999999999993 111.174 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -100.57 140.05 35.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 110.838 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -137.18 134.23 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 75.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.39 133.54 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 71.519999999999996 110.892 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.6 t0 67.55 12.0 8.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 72.109999999999999 110.847 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.43 24.94 27.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 73.010000000000005 112.447 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -149.64 160.02 43.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 74.109999999999999 110.9 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.11 123.7 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 75.209999999999994 111.14 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -107.71 -53.08 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.209999999999994 110.868 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -130.22 152.42 49.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 75.340000000000003 110.934 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.68 91.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 72.400000000000006 110.925 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.06 -42.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.868 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 64.42 164.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 63.210000000000001 111.015 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.66 161.73 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 71.519999999999996 110.887 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.8 t -108.54 155.43 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 75.409999999999997 111.097 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.49 174.96 15.8 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 73.430000000000007 112.483 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.54 55.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 75.439999999999998 110.945 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -127.17 156.34 74.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.569 0.7 . . . . 75.129999999999995 110.887 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -42.28 3.6 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 73.0 112.369 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.91 -27.54 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 54.240000000000002 111.073 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.44 -45.44 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.219999999999999 111.118 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -24.22 55.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 55.310000000000002 111.125 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 t -62.73 -32.98 74.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.209999999999994 111.099 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 mtp -89.05 1.13 56.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 73.319999999999993 110.813 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 71.93 -71.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 75.319999999999993 110.907 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.08 -30.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 74.549999999999997 110.84 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.8 t -49.85 -30.44 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 111.128 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.53 -58.66 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 64.129999999999995 111.076 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.44 -48.53 75.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 62.039999999999999 112.455 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.99 -39.06 62.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 73.409999999999997 110.92 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.5 mt -76.28 -32.22 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 73.200000000000003 111.132 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.08 -32.02 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 62.109999999999999 111.155 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.3 -51.06 60.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 53.43 111.15 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.51 68.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.299999999999997 111.055 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.0 mt -52.32 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 75.310000000000002 110.927 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -62.53 -34.69 77.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 110.914 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.29 83.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 75.409999999999997 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.0 t -76.63 -48.3 26.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 73.340000000000003 111.099 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -51.4 -44.11 62.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 72.010000000000005 110.918 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -74.58 -30.87 61.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 71.409999999999997 110.95 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.19 -32.05 22.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 65.120000000000005 111.081 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t -75.78 -33.82 60.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.519999999999996 110.903 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -62.41 -33.87 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 64.400000000000006 110.933 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.51 3.89 54.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.934 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.61 19.49 42.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 73.109999999999999 112.541 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 m -110.95 -171.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.368 . . . . 75.010000000000005 111.123 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.05 -169.07 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 74.430000000000007 110.951 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.7 pt -137.89 -178.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 74.540000000000006 111.183 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.828 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.855 0.36 . . . . 75.120000000000005 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.92 -175.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.209999999999994 111.128 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.81 -37.17 56.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 65.230000000000004 112.45 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.9 mm -50.56 -32.82 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 75.319999999999993 111.132 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.53 -34.26 47.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 65.340000000000003 111.077 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -55.3 27.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 73.209999999999994 110.89 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -32.52 66.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 74.329999999999998 110.93 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.04 -29.65 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 62.530000000000001 111.111 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.450000000000003 111.158 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.931 0.396 . . . . 75.530000000000001 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.18 -32.71 59.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.040000000000006 111.195 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -46.17 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.409999999999997 110.897 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.02 91.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.519999999999996 111.059 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -52.68 -35.05 54.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.540000000000006 110.975 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.81 -28.89 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 73.450000000000003 111.145 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -74.45 -44.36 52.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 73.230000000000004 110.918 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.2 mt -54.04 -20.93 7.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 72.310000000000002 110.859 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -65.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.329999999999998 110.929 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -57.94 -31.45 66.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 70.409999999999997 110.948 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.62 67.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 110.93 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -114.22 27.12 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.92 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.74 128.45 33.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 70.319999999999993 110.881 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 156.85 -24.46 0.49 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.728 -0.749 . . . . 71.150000000000006 112.478 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -33.16 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 74.409999999999997 111.12 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.54 178.04 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 75.420000000000002 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.42 163.71 36.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 63.539999999999999 110.864 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.57 171.9 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 75.519999999999996 110.859 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -78.09 161.51 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 64.540000000000006 110.844 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.23 129.08 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.019999999999996 110.922 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.14 140.46 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 65.329999999999998 111.116 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -130.76 -76.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 73.040000000000006 110.907 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -179.3 133.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.510000000000005 111.102 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.07 -169.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.445 . . . . 74.219999999999999 110.816 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -150.58 172.77 14.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.835 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.15 -149.9 5.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 71.140000000000001 112.529 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.85 -78.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 75.439999999999998 110.847 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.64 10.99 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.549999999999997 110.924 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -48.01 -41.37 25.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 64.319999999999993 110.929 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -75.7 -40.31 55.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 72.400000000000006 110.875 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.16 -23.09 32.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 74.310000000000002 110.818 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -51.97 -42.52 62.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 75.430000000000007 110.948 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 20.5 m -55.78 -25.4 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.030000000000001 111.129 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.18 -50.06 74.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 110.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 14.2 ttp -72.38 -40.69 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 75.420000000000002 110.91 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -54.01 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.932 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.34 -33.83 55.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 71.140000000000001 111.147 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -30.47 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.150000000000006 110.856 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.4 m -73.29 -34.85 65.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 54.520000000000003 110.855 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.2 -39.44 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 71.219999999999999 111.149 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.92 -44.83 63.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 75.510000000000005 110.97 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.99 37.82 2.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 62.420000000000002 112.445 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 33.7 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 75.329999999999998 111.091 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.782 0.325 . . . . 73.409999999999997 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -151.38 20.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.450000000000003 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.8 p -73.61 -176.14 2.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.450000000000003 111.095 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.78 -64.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 73.299999999999997 110.822 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -50.0 164.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 73.209999999999994 110.915 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -50.83 157.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 110.87 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -90.18 142.19 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.319999999999993 111.112 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -70.57 79.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.979 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.9 p -118.76 178.97 4.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 72.219999999999999 111.169 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.03 -171.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 70.439999999999998 110.903 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.14 141.97 12.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 73.239999999999995 112.488 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.58 177.07 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.352 . . . . 62.520000000000003 110.847 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -140.26 -70.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 73.409999999999997 110.9 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -143.41 128.97 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 74.109999999999999 111.125 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 46.27 -158.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 74.409999999999997 110.928 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.07 51.94 4.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 64.239999999999995 112.458 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.05 -175.63 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 75.209999999999994 110.937 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -129.05 136.56 50.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 75.120000000000005 110.926 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.85 173.17 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 74.319999999999993 111.116 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -138.65 130.41 27.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 75.439999999999998 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.34 168.38 19.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 62.149999999999999 111.183 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -163.05 165.21 25.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.340000000000003 110.882 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.5 107.09 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.062 -0.517 . . . . 54.140000000000001 111.061 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -91.14 140.08 30.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 74.099999999999994 110.946 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 t -144.02 127.91 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 73.310000000000002 111.137 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -121.62 131.69 54.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 74.409999999999997 110.891 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.15 13.42 8.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 110.888 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.5 23.34 37.04 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.767 -0.73 . . . . 70.209999999999994 112.473 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.72 170.15 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 73.349999999999994 110.876 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.48 119.48 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 74.150000000000006 111.087 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -107.58 -49.3 3.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 75.129999999999995 110.846 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -130.18 163.63 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 73.129999999999995 110.909 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -171.6 96.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.209999999999994 110.925 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -174.46 119.14 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 75.140000000000001 110.818 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.52 -176.78 6.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 111.123 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -153.87 138.95 17.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 71.209999999999994 110.844 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 t -105.18 155.49 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.129999999999995 111.131 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.41 -163.31 17.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 73.329999999999998 112.438 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.77 52.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 75.129999999999995 110.902 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -114.65 154.91 46.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.596 0.712 . . . . 74.319999999999993 110.906 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -48.76 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 73.219999999999999 112.367 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.75 -19.95 63.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 60.409999999999997 111.125 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.77 -35.19 13.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 75.120000000000005 111.105 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.22 -40.78 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 71.230000000000004 111.108 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 t -60.54 -20.13 59.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 111.127 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.4 mtp -90.97 12.48 19.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 75.349999999999994 110.861 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 69.94 -72.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 73.340000000000003 110.857 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -162.59 22.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 65.310000000000002 110.867 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 t -74.18 -51.0 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 71.219999999999999 111.13 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.73 -20.13 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 70.510000000000005 111.091 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.49 -49.81 8.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 61.130000000000003 112.529 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -64.97 -47.93 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 73.420000000000002 110.884 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mt -65.89 -32.01 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.450000000000003 111.103 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.05 -49.07 22.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 111.086 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.78 -54.65 17.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 111.062 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.05 -30.13 24.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 73.430000000000007 111.08 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.49 -67.29 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.439999999999998 110.928 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -58.46 -25.05 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 74.049999999999997 110.94 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.65 96.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 74.409999999999997 111.125 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.8 t -76.28 -43.76 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 62.549999999999997 111.132 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -51.86 -48.21 64.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 75.219999999999999 110.929 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -31.19 56.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 110.884 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.9 -32.36 32.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 75.099999999999994 111.133 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -76.07 -28.86 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.120000000000005 110.83 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.48 -43.57 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.040000000000006 110.939 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.6 mp -77.91 -3.24 40.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.42 11.39 59.42 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 72.439999999999998 112.506 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 m -101.65 -171.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 71.120000000000005 111.111 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.99 -169.93 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 110.864 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.9 pt -138.15 -178.99 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 75.549999999999997 111.154 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.848 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.904 0.383 . . . . 74.540000000000006 110.85 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.99 -165.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 73.239999999999995 111.096 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.39 -35.24 35.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 75.409999999999997 112.469 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.14 -24.1 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 74.340000000000003 111.169 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.3 -22.74 12.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 73.530000000000001 111.052 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.31 -56.44 11.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 73.299999999999997 110.901 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 8.1 m-90 -73.0 -29.92 63.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.889 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.59 -28.67 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 64.200000000000003 111.145 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.5 111.173 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.941 0.4 . . . . 71.230000000000004 110.845 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -34.98 60.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 73.310000000000002 111.167 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -58.11 -42.17 85.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.0 110.986 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.5 -36.29 22.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 72.219999999999999 111.172 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -53.59 -48.57 69.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.925 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.78 -27.27 67.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 73.510000000000005 111.124 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -74.71 -51.39 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 73.310000000000002 110.886 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.89 -24.66 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 75.450000000000003 110.895 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.219999999999999 110.874 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.9 -30.52 61.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 72.430000000000007 110.905 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -47.76 50.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 74.129999999999995 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 34.79 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 73.230000000000004 110.924 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 128.15 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 74.420000000000002 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.54 -21.68 0.33 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.789 -0.72 . . . . 53.520000000000003 112.517 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -33.7 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 73.319999999999993 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -115.75 177.75 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 73.019999999999996 110.915 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -139.78 151.75 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 72.310000000000002 110.863 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.95 172.76 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.140000000000001 110.915 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.41 164.11 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.409999999999997 110.894 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -71.59 78.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.040000000000006 110.943 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.0 m -50.87 111.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 111.107 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -71.22 -78.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 75.120000000000005 110.863 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 176.31 150.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 63.409999999999997 111.106 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.77 -177.1 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 72.510000000000005 110.814 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 p -91.29 -169.08 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 75.420000000000002 110.857 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -111.76 138.39 14.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 53.539999999999999 112.545 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.402 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . 13.0 m-20 -135.85 -140.15 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 71.030000000000001 110.919 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -106.12 -2.69 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 110.924 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.402 ' CD2' ' HB2' ' A' ' 121' ' ' ASN . 5.0 p90 -53.09 -26.5 16.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 75.319999999999993 110.895 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -75.6 -36.64 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.340000000000003 110.894 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.62 -24.02 45.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.420000000000002 110.954 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -52.17 -36.97 53.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.420000000000002 110.99 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 27.2 m -55.58 -22.11 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 74.519999999999996 111.188 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -61.48 -53.02 61.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 75.040000000000006 110.876 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.8 ttm -69.15 -44.3 72.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 110.867 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -49.11 78.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.430000000000007 110.944 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.82 68.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 74.040000000000006 111.145 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -51.84 -30.0 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 72.129999999999995 110.851 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.1 t -70.72 -45.84 64.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 72.0 110.823 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.46 74.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 60.109999999999999 111.069 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.05 93.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 74.340000000000003 110.897 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 100.89 29.39 6.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 71.439999999999998 112.515 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 34.3 mm . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 73.519999999999996 111.142 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.852 0.358 . . . . 71.030000000000001 110.843 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -92.51 119.2 31.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 72.530000000000001 110.881 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.4 p -138.69 -78.1 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 75.239999999999995 111.173 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 61.65 62.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 110.918 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -174.6 135.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.150000000000006 110.945 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -49.55 160.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 74.040000000000006 110.872 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.74 142.9 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 72.430000000000007 111.127 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -71.25 78.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 72.439999999999998 110.904 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.6 p -130.82 155.52 46.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 71.209999999999994 111.162 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.35 59.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 62.130000000000003 110.855 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.18 66.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.667 -0.778 . . . . 62.119999999999997 112.438 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.53 126.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 73.200000000000003 110.849 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -158.14 161.34 37.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 72.239999999999995 110.947 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p -142.24 125.38 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 75.530000000000001 111.148 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 46.19 -156.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 73.030000000000001 110.879 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.95 54.96 3.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.681 -0.771 . . . . 74.25 112.461 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -143.93 -179.21 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 73.439999999999998 110.845 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -129.76 134.59 47.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 72.409999999999997 110.887 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.84 159.48 40.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 63.450000000000003 111.114 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -132.47 130.53 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.968 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.99 168.14 15.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 73.209999999999994 111.05 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.08 176.57 11.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 71.540000000000006 110.934 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.21 125.65 51.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 74.530000000000001 111.124 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -113.69 140.46 48.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.310000000000002 110.828 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 t -143.32 133.17 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 72.129999999999995 111.141 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -139.39 141.81 37.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 71.099999999999994 110.907 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 66.44 13.15 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 25.010000000000002 110.858 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.84 7.73 68.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 74.530000000000001 112.401 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -134.52 169.47 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 73.420000000000002 110.89 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -64.38 125.61 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.219999999999999 111.156 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -107.53 -57.59 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 74.140000000000001 110.834 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -130.14 159.86 35.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 73.209999999999994 110.911 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.52 87.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 75.340000000000003 110.885 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -159.69 138.99 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 65.120000000000005 110.826 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.85 179.88 5.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 111.115 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.35 148.95 30.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 74.040000000000006 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 t -108.73 155.65 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 75.239999999999995 111.17 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.41 -154.61 11.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 63.420000000000002 112.451 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.34 55.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 75.049999999999997 110.945 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -122.38 154.85 62.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 73.450000000000003 110.899 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.67 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.653 2.236 . . . . 73.319999999999993 112.381 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.91 69.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 73.540000000000006 111.102 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.04 14.11 22.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.439999999999998 111.122 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.07 12.6 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 74.430000000000007 111.153 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -119.62 12.69 12.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 74.099999999999994 111.114 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.39 22.36 8.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 110.975 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 72.09 -73.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 71.400000000000006 110.852 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -172.15 22.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 73.400000000000006 110.848 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.12 -32.82 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 73.200000000000003 111.118 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.24 -55.9 5.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 74.099999999999994 111.107 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.84 -33.62 56.37 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.744 -0.741 . . . . 71.140000000000001 112.483 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.62 -54.39 47.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 73.519999999999996 110.86 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mt -74.02 -31.49 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 73.099999999999994 111.175 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.55 -38.02 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.519999999999996 111.069 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.0 -47.41 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.409999999999997 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.52 -37.56 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 72.409999999999997 111.113 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.81 -66.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 71.510000000000005 110.991 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -53.64 -28.35 32.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.310000000000002 110.951 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.77 80.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.043 -0.526 . . . . 73.140000000000001 111.079 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.7 t -75.93 -43.36 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.150000000000006 111.107 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -51.5 -48.41 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 75.099999999999994 110.89 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 -31.38 55.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 75.349999999999994 110.902 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.03 -34.39 42.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 74.140000000000001 111.11 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 t -73.95 -28.79 61.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 75.430000000000007 110.897 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -72.22 -39.57 68.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 71.540000000000006 110.953 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mp -82.49 1.56 37.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.87 22.01 39.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 71.120000000000005 112.512 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 m -108.77 -175.9 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 73.420000000000002 111.206 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -138.19 152.53 48.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.109999999999999 110.957 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.6 pt -100.21 179.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 71.340000000000003 111.115 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.430000000000007 110.849 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.93 0.395 . . . . 74.120000000000005 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.25 -169.52 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.51 . . . . 73.239999999999995 111.148 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -56.28 -22.68 38.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.742 . . . . 73.530000000000001 112.567 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.0 mm -79.58 -21.18 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 75.040000000000006 111.11 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.52 -37.03 74.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 53.399999999999999 111.131 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -92.91 -20.93 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 75.120000000000005 110.902 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -75.9 -27.15 57.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 73.340000000000003 111.002 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.93 -18.83 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 74.540000000000006 111.127 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 74.549999999999997 111.163 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.949 0.404 . . . . 75.519999999999996 110.892 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -40.5 57.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 73.129999999999995 111.164 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -39.68 35.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 72.450000000000003 110.888 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.19 -40.83 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 111.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -52.27 -55.51 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.219999999999999 110.913 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.4 -32.25 38.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 63.119999999999997 111.063 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -76.93 -56.52 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.530000000000001 110.927 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.8 mt -55.69 -21.71 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.86 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.91 -67.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 73.230000000000004 110.847 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -56.43 -30.49 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 72.25 110.893 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -49.22 54.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.219999999999999 110.874 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -126.84 35.45 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 71.120000000000005 110.946 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.89 129.56 34.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 75.530000000000001 110.838 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.74 -21.18 0.38 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 54.299999999999997 112.497 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -31.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 74.219999999999999 111.17 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -117.7 177.6 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 75.329999999999998 110.963 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 t -148.75 161.46 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.219999999999999 110.828 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -170.93 172.84 5.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 74.519999999999996 110.869 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.43 155.07 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 71.239999999999995 110.927 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.79 101.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 73.430000000000007 110.96 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.4 p -114.13 146.97 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 111.164 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -129.84 -65.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 75.120000000000005 110.872 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.68 160.21 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 111.097 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 179.62 -169.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.219999999999999 110.797 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.6 p -82.66 -75.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 65.450000000000003 110.859 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 139.44 -173.83 22.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.662 -0.78 . . . . 65.120000000000005 112.47 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -179.42 -169.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 72.340000000000003 110.902 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -6.84 51.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.913 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -51.61 -29.72 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -74.04 -41.98 60.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.010000000000005 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.58 -25.04 9.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 72.099999999999994 110.931 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -52.43 -36.26 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 110.92 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 32.5 m -55.57 -23.58 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 73.530000000000001 111.156 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -60.85 -53.59 55.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 73.510000000000005 110.873 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -39.94 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 70.310000000000002 110.883 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -46.69 86.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 74.129999999999995 110.914 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.93 71.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 72.319999999999993 111.109 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -59.58 -36.03 75.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 75.340000000000003 110.906 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 t -59.75 -31.74 69.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.310000000000002 110.832 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -51.61 -40.4 59.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.299999999999997 111.059 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 mp -88.46 -13.6 39.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 74.140000000000001 110.952 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.87 36.79 35.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 72.530000000000001 112.422 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 73.230000000000004 111.077 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.767 0.317 . . . . 75.010000000000005 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.73 -179.78 8.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 62.509999999999998 110.903 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.3 -168.95 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.888 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -159.12 24.26 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 110.844 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -70.34 165.24 22.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.530000000000001 111.147 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -157.03 26.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 110.876 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -139.02 154.05 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 65.340000000000003 110.879 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -50.89 153.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 70.430000000000007 110.846 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -90.39 147.68 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.299999999999997 111.175 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -68.39 78.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 73.150000000000006 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -139.36 164.19 30.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 65.409999999999997 111.129 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 64.5 108.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 75.420000000000002 110.896 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.22 85.53 1.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 73.329999999999998 112.459 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 t -175.6 141.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 75.450000000000003 110.866 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -179.23 157.39 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.896 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 p -129.08 115.21 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.230000000000004 111.147 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 70.43 -70.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 72.319999999999993 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.84 23.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 53.549999999999997 112.474 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -175.65 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 71.109999999999999 110.907 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -129.0 134.66 48.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 73.019999999999996 110.927 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.15 150.78 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 74.049999999999997 111.059 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -120.81 130.6 54.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 73.230000000000004 110.903 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.18 165.55 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.061 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.84 163.91 29.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 71.109999999999999 110.919 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.75 126.6 53.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 74.420000000000002 111.092 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -109.12 140.06 43.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.530000000000001 110.888 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -143.43 129.41 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 74.349999999999994 111.087 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -124.55 134.26 53.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 110.918 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 t0 66.97 12.65 9.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 74.340000000000003 110.865 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.28 25.48 28.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 63.219999999999999 112.468 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -149.54 162.04 40.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 72.099999999999994 110.859 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.09 121.53 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 111.092 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -107.66 -46.04 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 64.549999999999997 110.841 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -130.21 177.31 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 71.310000000000002 110.896 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -179.36 103.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 75.430000000000007 110.942 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.92 145.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 65.310000000000002 110.855 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.59 -171.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 111.102 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -156.95 138.65 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.030000000000001 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.6 t -111.52 155.67 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 111.121 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.78 -147.24 19.67 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 72.019999999999996 112.491 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.4 -33.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 73.329999999999998 110.881 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -50.76 147.8 8.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.736 . . . . 72.310000000000002 110.896 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -46.21 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 71.420000000000002 112.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.56 -30.78 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 73.120000000000005 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.21 -17.38 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 73.019999999999996 111.08 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.56 19.29 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 72.549999999999997 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 t -125.97 -2.89 7.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 73.549999999999997 111.166 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.0 mmm -96.35 33.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.200000000000003 110.868 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 63.42 28.05 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.821 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 64.22 15.32 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 64.430000000000007 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.9 t -72.96 -42.86 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.450000000000003 111.133 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.93 -29.69 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.150000000000006 111.08 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.78 -43.44 59.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.340000000000003 112.469 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -55.03 -54.65 40.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.361 . . . . 74.510000000000005 110.865 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.72 -30.19 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.120000000000005 111.092 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.19 -46.45 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 111.124 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.18 -55.16 16.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.049999999999997 111.074 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.85 -29.8 21.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 111.056 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -69.79 -67.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.540000000000006 110.932 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -58.74 -23.27 59.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 71.209999999999994 110.964 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.54 96.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 61.329999999999998 111.088 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.8 t -76.28 -43.1 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.140000000000001 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -51.62 -47.92 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.540000000000006 110.894 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -76.66 -30.09 56.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.329999999999998 110.935 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.56 -31.78 37.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.019999999999996 111.116 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.4 t -76.06 -28.69 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 71.319999999999993 110.84 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -71.28 -41.01 70.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 74.239999999999995 110.895 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mp -81.96 0.67 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.540000000000006 110.946 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.63 17.03 47.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 65.049999999999997 112.481 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 m -105.2 -179.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 73.230000000000004 111.17 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.78 153.77 48.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 75.209999999999994 110.877 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -100.06 179.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 75.450000000000003 111.134 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -54.12 119.38 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 75.099999999999994 110.896 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.6 pt -127.99 -35.4 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 65.150000000000006 111.118 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.4 93.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 36.2 m80 51.99 37.94 22.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 72.239999999999995 110.862 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -51.14 -59.45 4.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 71.340000000000003 110.86 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 68.57 -76.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 73.120000000000005 110.906 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 55.7 -168.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 70.420000000000002 111.135 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.46 -25.36 74.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 73.010000000000005 112.469 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.19 -32.97 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.866 0.365 . . . . 70.239999999999995 111.171 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.62 -5.44 43.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.098 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -68.75 -57.88 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 71.299999999999997 110.877 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -16.57 46.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 75.510000000000005 110.953 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.03 -20.65 40.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 111.105 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.5 p -64.78 -18.84 65.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 71.430000000000007 111.136 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.15 81.88 1.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 72.329999999999998 112.458 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -100.02 -29.25 12.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 62.509999999999998 110.89 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.86 158.79 44.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.919 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.63 154.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 73.439999999999998 110.89 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.58 81.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 111.097 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -42.46 82.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 75.140000000000001 110.839 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -48.99 123.55 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 63.310000000000002 110.861 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 63.84 169.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 74.409999999999997 110.867 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -89.92 6.11 43.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 71.329999999999998 110.908 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -26.89 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 71.239999999999995 111.172 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -45.1 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.140000000000001 110.927 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.1 -33.32 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 111.095 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -54.31 -54.42 40.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 73.340000000000003 110.914 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.76 -31.92 65.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.409999999999997 111.144 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -74.27 -48.67 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.319999999999993 110.908 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.19 -20.03 38.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.35 -66.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 60.5 110.872 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.23 -31.19 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 71.120000000000005 110.908 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -44.16 52.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 72.540000000000006 110.9 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -131.92 34.85 3.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 72.420000000000002 110.952 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -81.3 128.43 33.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 75.219999999999999 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.3 -21.03 0.41 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 72.420000000000002 112.468 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.02 -33.59 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 73.099999999999994 111.176 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -115.65 177.38 4.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 73.209999999999994 110.955 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -145.2 154.32 42.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 54.149999999999999 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.3 171.89 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 70.430000000000007 110.891 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.17 -173.25 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 110.88 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -77.24 124.25 27.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 74.510000000000005 110.925 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.52 105.36 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 72.099999999999994 111.174 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -67.72 -81.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.874 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -178.52 -174.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.030000000000001 111.101 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 60.8 t60 64.63 158.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 73.209999999999994 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.5 -176.37 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 70.310000000000002 110.847 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 142.39 91.58 0.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 64.530000000000001 112.462 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 t30 179.91 -167.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 73.010000000000005 110.911 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -105.32 9.4 33.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 110.921 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -51.24 -29.33 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.430000000000007 110.887 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -75.67 -39.98 56.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 75.530000000000001 110.87 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.35 -24.95 13.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 71.239999999999995 110.843 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.82 -36.78 59.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 110.926 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.8 m -57.27 -20.31 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 75.420000000000002 111.123 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.15 -50.71 70.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 75.230000000000004 110.909 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 7.4 ttp -72.45 -41.21 66.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -54.2 44.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 72.310000000000002 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.3 -33.96 55.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 73.310000000000002 111.149 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.42 -33.0 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 110.899 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.0 t -71.75 -32.68 67.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.150000000000006 110.889 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.85 23.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 62.32 111.098 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tt -52.94 -56.58 14.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 74.230000000000004 110.91 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 137.34 74.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 73.120000000000005 112.475 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 24.0 mm -123.87 150.59 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 75.319999999999993 111.154 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.45 166.38 12.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 74.400000000000006 110.879 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.75 -177.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 73.530000000000001 110.904 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.9 mt -167.8 89.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.340000000000003 110.92 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.6 168.05 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.019999999999996 110.927 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -145.28 94.99 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 72.049999999999997 110.913 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -158.48 162.12 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -173.71 176.57 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 71.120000000000005 110.906 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.95 -178.97 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 64.510000000000005 110.841 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -142.35 136.61 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 110.867 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.150000000000006 110.879 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.784 0.326 . . . . 64.140000000000001 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -165.27 170.32 14.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 70.209999999999994 110.84 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -139.32 131.32 27.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 74.340000000000003 110.834 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -93.11 16.62 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 73.219999999999999 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -88.1 134.11 33.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 111.139 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -142.99 20.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 71.540000000000006 110.873 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -117.5 164.34 15.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 73.409999999999997 110.928 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -50.51 153.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.078 -0.51 . . . . 73.019999999999996 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.4 t -90.84 143.46 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 71.420000000000002 111.161 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -71.71 78.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 65.510000000000005 110.943 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 p -119.71 179.15 4.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.079 -0.51 . . . . 73.049999999999997 111.2 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.84 63.61 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.209999999999994 110.859 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.4 -110.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 74.239999999999995 112.469 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -172.02 145.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 74.040000000000006 110.836 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -51.97 168.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 75.519999999999996 110.892 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 p -140.25 110.63 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.211 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 70.26 -69.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 64.420000000000002 110.906 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.84 -36.71 0.07 OUTLIER Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.714 -0.755 . . . . 52.350000000000001 112.414 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.429 HE22 ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -83.19 -178.86 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 74.400000000000006 110.898 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -113.77 168.06 10.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 71.400000000000006 110.942 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.49 162.67 38.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 73.140000000000001 111.16 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.3 p-90 -141.66 130.57 23.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 75.019999999999996 110.913 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.72 169.13 14.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 72.400000000000006 111.088 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.05 169.98 22.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 73.099999999999994 110.917 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.52 125.12 53.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 111.146 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -111.74 138.4 48.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 75.400000000000006 110.897 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 t -144.65 129.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 72.420000000000002 111.091 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -127.64 137.37 52.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 71.299999999999997 110.836 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 67.91 11.96 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 64.129999999999995 110.851 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.06 22.06 36.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 62.340000000000003 112.489 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.58 157.48 43.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 75.420000000000002 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -54.95 123.12 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.420000000000002 111.095 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -106.75 -44.97 4.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 110.839 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -130.38 174.99 9.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 74.510000000000005 110.906 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -177.81 105.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 73.430000000000007 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.79 159.33 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 72.430000000000007 110.908 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.83 175.08 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 64.549999999999997 111.072 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -153.84 170.68 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 71.25 110.913 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.5 m -123.4 157.83 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 111.113 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' N ' HE22 ' A' ' 19' ' ' GLN . . . -92.31 -155.79 32.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 64.219999999999999 112.532 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.98 33.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 75.040000000000006 110.922 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -105.13 154.28 38.92 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 74.099999999999994 110.924 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.685 2.256 . . . . 71.329999999999998 112.286 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.7 -18.32 65.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 111.092 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.47 -36.26 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 73.310000000000002 111.157 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.31 -41.7 80.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 64.099999999999994 111.148 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 t -59.42 -20.82 57.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 111.086 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 mmt -83.34 1.45 41.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.010000000000005 110.917 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 62.06 -86.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 75.140000000000001 110.865 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -134.14 3.5 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 72.329999999999998 110.853 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.1 t -73.27 -39.71 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 72.409999999999997 111.105 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.73 -47.19 61.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 60.439999999999998 111.092 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.39 -20.73 38.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 64.099999999999994 112.556 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.83 -55.45 8.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 73.430000000000007 110.92 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.0 mt -75.06 -30.51 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 75.040000000000006 111.086 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.38 -33.46 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 111.085 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.98 83.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.239999999999995 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.39 -29.27 23.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 111.142 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.32 -66.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 62.109999999999999 110.923 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 75.329999999999998 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.78 98.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.5 111.057 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.1 t -76.26 -47.27 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.209999999999994 111.13 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -51.61 -44.59 62.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.450000000000003 110.845 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -75.24 -30.79 60.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 73.530000000000001 110.847 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.18 -36.24 40.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 64.409999999999997 111.087 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -70.47 -29.84 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 60.329999999999998 110.855 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -73.92 -40.62 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 72.420000000000002 110.908 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.63 -8.78 58.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 61.399999999999999 110.88 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.71 35.13 37.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 40.340000000000003 112.524 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.4 m -110.12 -30.29 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 72.519999999999996 111.186 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.5 -174.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.5 110.857 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.1 pt -136.05 179.48 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 63.409999999999997 111.122 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -54.99 136.05 48.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.209999999999994 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.2 pt -125.68 139.79 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 111.117 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 68.48 -75.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 75.049999999999997 110.903 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.27 80.04 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.903 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -173.39 65.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 75.209999999999994 110.904 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -51.11 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 74.5 110.942 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 50.22 -167.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 63.539999999999999 111.11 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.43 -8.83 63.44 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 72.030000000000001 112.461 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.9 mm -75.59 -46.14 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 73.200000000000003 111.165 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.33 -21.08 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.140000000000001 111.158 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -63.8 -55.58 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 74.0 110.828 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -24.22 38.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 74.010000000000005 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.09 -28.3 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 71.439999999999998 111.149 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.0 p -64.44 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 111.181 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.4 43.21 98.63 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.658 -0.782 . . . . 73.120000000000005 112.576 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.79 -27.72 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 75.430000000000007 110.804 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -111.93 158.91 18.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 74.5 110.992 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -50.03 154.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.530000000000001 110.941 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -50.65 -30.23 13.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 64.230000000000004 111.098 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.89 -28.24 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 73.040000000000006 110.903 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.99 104.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 72.409999999999997 110.913 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 53.47 -173.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 75.549999999999997 110.872 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -93.55 18.59 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.319999999999993 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -25.93 28.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 75.299999999999997 111.22 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.02 -47.11 44.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 75.140000000000001 110.891 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.23 94.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 74.230000000000004 111.083 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -53.02 -33.7 52.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 73.140000000000001 110.886 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.33 -29.16 63.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.430000000000007 111.118 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -74.2 -44.84 51.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 75.030000000000001 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.35 -19.91 39.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.150000000000006 110.893 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.3 ttt -53.42 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.430000000000007 110.89 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -55.47 -33.46 63.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.010000000000005 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -49.25 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 73.219999999999999 110.914 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -115.29 30.29 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.409999999999997 110.93 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -85.49 127.07 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.526 . . . . 75.420000000000002 110.956 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 155.68 -20.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 55.109999999999999 112.458 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.1 -33.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 75.549999999999997 111.125 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -118.92 177.82 4.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 75.209999999999994 110.948 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.48 141.62 23.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 64.540000000000006 110.922 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -154.75 172.16 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 75.230000000000004 110.867 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 154.97 36.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 71.340000000000003 110.918 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -51.21 132.68 28.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.299999999999997 110.92 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.57 145.99 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 75.219999999999999 111.185 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -135.43 -76.95 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 62.210000000000001 110.917 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -177.64 133.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.439999999999998 111.108 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -174.93 155.85 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.864 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.7 p -50.55 167.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 53.549999999999997 110.942 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -108.35 -165.88 21.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 62.450000000000003 112.502 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -179.31 -168.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.321 . . . . 72.230000000000004 110.843 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -83.38 2.7 35.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 71.299999999999997 110.985 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -53.21 -29.99 35.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 75.019999999999996 110.893 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -73.53 -38.23 65.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 72.5 110.897 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.4 -24.93 21.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 74.329999999999998 110.88 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.27 -34.18 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 75.329999999999998 110.861 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.0 m -55.24 -24.35 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 111.126 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -56.59 -52.35 65.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.310000000000002 110.847 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -41.12 66.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.310000000000002 110.817 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.29 65.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 74.319999999999993 110.907 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.33 -36.57 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.0 111.171 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -52.55 -31.21 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.019999999999996 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 m -76.38 -35.02 58.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.340000000000003 110.885 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.42 -31.49 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 74.310000000000002 111.076 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.63 -51.49 10.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.349999999999994 110.904 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 115.95 41.14 0.79 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.706 -0.759 . . . . 75.209999999999994 112.451 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.9 mm -72.66 152.76 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.814 0.34 . . . . 65.329999999999998 111.168 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.32 166.09 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 75.030000000000001 110.904 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -179.68 -176.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 73.040000000000006 110.879 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 161.85 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 63.420000000000002 110.879 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -55.29 139.26 43.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 73.109999999999999 110.894 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.91 155.21 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 64.319999999999993 110.889 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.67 178.88 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 110.805 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -174.65 -178.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 71.549999999999997 110.852 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.8 160.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 75.299999999999997 110.842 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.08 168.38 2.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 75.319999999999993 110.851 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 22.3 t60 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 63.340000000000003 110.848 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.761 0.315 . . . . 73.219999999999999 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -152.65 161.32 42.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 73.420000000000002 110.832 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.52 -168.88 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.120000000000005 110.878 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -158.74 27.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 71.109999999999999 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 p -63.26 -76.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.019999999999996 111.158 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 63.81 16.5 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -134.73 154.0 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.976 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -51.23 151.62 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 110.844 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.2 t -91.39 142.78 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 75.299999999999997 111.154 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -71.48 79.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 74.340000000000003 110.927 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.3 p -116.14 173.33 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.134 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.16 157.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 73.510000000000005 110.867 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.13 146.95 8.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 62.43 112.471 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -169.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.358 . . . . 74.239999999999995 110.831 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -147.35 -70.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 74.109999999999999 110.89 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.94 131.01 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.010000000000005 111.069 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 45.73 -156.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.219999999999999 110.899 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.93 50.22 4.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 74.329999999999998 112.47 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -179.2 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 73.409999999999997 110.831 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -125.99 135.45 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.310000000000002 110.971 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.54 173.05 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.530000000000001 111.094 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 28.8 p90 -139.34 130.62 26.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.848 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.79 165.38 23.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.019999999999996 111.077 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.81 167.93 24.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 71.209999999999994 110.924 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.18 125.36 54.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 73.140000000000001 111.073 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -112.34 138.18 49.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 74.5 110.921 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -145.31 128.02 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 75.299999999999997 111.143 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.69 135.78 54.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.921 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.16 12.51 9.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 110.924 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.24 24.23 32.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 65.049999999999997 112.498 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -149.42 159.87 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 74.540000000000006 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.95 122.15 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 73.239999999999995 111.087 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -107.71 -45.06 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 73.140000000000001 110.865 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.11 -175.74 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 73.439999999999998 110.915 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -174.72 -168.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 73.019999999999996 110.827 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 65.26 153.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 64.230000000000004 110.876 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.33 -169.5 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.019999999999996 111.087 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -142.3 138.56 31.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.409999999999997 110.897 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.3 t -101.77 155.22 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 72.5 111.147 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -124.09 163.06 17.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.717 -0.754 . . . . 53.100000000000001 112.45 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 48.06 1.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 74.209999999999994 110.844 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -90.02 154.63 47.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.536 0.684 . . . . 75.109999999999999 110.945 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -48.33 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.676 2.251 . . . . 71.510000000000005 112.375 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.59 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 111.084 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.57 -52.57 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.319999999999993 111.118 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.1 93.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 111.139 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.7 t -58.14 -21.92 48.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 75.200000000000003 111.185 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.83 15.73 14.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 71.409999999999997 110.865 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 69.72 -73.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.230000000000004 110.774 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -164.3 23.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 75.299999999999997 110.87 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.9 t -74.39 -43.82 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.049999999999997 111.091 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.83 -23.37 55.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.109999999999999 111.066 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.64 -48.81 9.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 72.25 112.501 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -57.03 -46.95 81.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 74.120000000000005 110.905 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mt -74.3 -30.39 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 72.329999999999998 111.106 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.28 -33.45 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 74.400000000000006 111.104 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.8 -54.05 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 75.109999999999999 111.144 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.08 68.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 63.450000000000003 111.125 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.5 mt -53.19 -67.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 74.310000000000002 110.924 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -65.82 -21.26 66.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.111 -0.495 . . . . 75.109999999999999 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -47.58 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.200000000000003 111.16 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.95 -44.65 66.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.409999999999997 111.068 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -51.29 -47.86 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 110.891 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -76.6 -29.9 56.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 110.893 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.62 -33.5 46.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 64.420000000000002 111.1 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.8 t -73.71 -28.63 61.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 64.010000000000005 110.918 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -70.86 -38.68 73.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 73.310000000000002 110.889 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.42 4.45 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.310000000000002 110.933 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.9 25.61 31.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 52.530000000000001 112.453 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.3 m -114.48 149.19 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.402 . . . . 65.340000000000003 111.108 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.81 149.62 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 75.349999999999994 110.911 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.9 pt -100.47 179.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 61.439999999999998 111.14 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.91 123.01 12.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 72.299999999999997 110.823 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pp -130.02 -171.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 71.219999999999999 111.098 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 55.68 49.7 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 65.420000000000002 110.869 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 58.88 96.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 74.340000000000003 110.843 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -87.88 7.35 31.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 71.120000000000005 110.853 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.48 36.03 15.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 72.310000000000002 110.92 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.77 -169.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 73.239999999999995 111.09 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.5 -21.13 48.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 63.420000000000002 112.44 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.1 mm -80.05 -46.03 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.348 . . . . 75.230000000000004 111.113 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.66 -9.65 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 74.299999999999997 111.049 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -75.99 -56.05 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 71.010000000000005 110.869 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.536 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.48 -19.22 42.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 75.219999999999999 110.979 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.69 -28.77 3.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 63.200000000000003 111.126 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 p -64.71 -41.43 95.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 73.209999999999994 111.176 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.92 98.49 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 73.200000000000003 112.523 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -100.3 -62.74 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 71.420000000000002 110.933 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -100.19 159.21 15.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 73.230000000000004 110.859 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.47 87.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.340000000000003 110.932 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.34 1.3 29.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 75.140000000000001 111.113 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -44.86 -32.12 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -82.66 54.54 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 71.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -152.47 -174.11 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.150000000000006 110.87 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -108.59 -13.46 14.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 75.010000000000005 110.846 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -26.9 21.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.430000000000007 111.175 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -49.85 -40.15 41.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 64.409999999999997 110.909 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.58 -31.53 10.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 72.230000000000004 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -54.09 -54.75 35.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 75.140000000000001 110.907 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.94 -32.73 61.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 74.209999999999994 111.109 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -74.81 -47.25 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.200000000000003 110.884 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.02 -15.77 60.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 74.430000000000007 110.899 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.26 -66.15 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.439999999999998 110.937 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -51.15 -32.59 23.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 73.530000000000001 110.841 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -41.68 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 73.409999999999997 110.789 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -128.55 31.18 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.540000000000006 110.856 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.83 126.8 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 75.430000000000007 110.896 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.94 -20.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 54.130000000000003 112.46 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -33.88 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 73.030000000000001 111.127 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -118.77 177.86 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 73.450000000000003 110.945 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.17 152.13 34.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 51.329999999999998 110.822 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -166.69 138.27 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 75.200000000000003 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.91 173.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 73.140000000000001 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.66 139.69 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.230000000000004 110.921 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.76 103.81 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 75.349999999999994 111.111 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -74.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 74.510000000000005 110.893 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.536 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -178.08 158.43 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 64.510000000000005 111.124 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -176.82 151.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 73.439999999999998 110.797 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.5 m -70.69 -74.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 73.420000000000002 110.873 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -177.24 179.74 47.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 65.450000000000003 112.5 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.31 -169.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 73.200000000000003 110.82 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -99.36 8.68 44.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 65.510000000000005 110.921 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -75.98 -30.84 58.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.400000000000006 110.808 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -74.34 -38.33 63.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.329999999999998 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -54.75 -24.72 23.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.439999999999998 110.88 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.07 -34.27 42.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.916 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.8 m -55.22 -25.15 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 71.349999999999994 111.158 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -46.58 90.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 72.439999999999998 110.855 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -49.25 33.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 72.099999999999994 110.877 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -54.92 34.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 75.340000000000003 110.937 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.55 -34.8 59.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 75.400000000000006 111.093 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.61 -30.94 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.63 -32.81 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 75.430000000000007 110.808 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.79 -41.97 74.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.420000000000002 111.098 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.54 -24.62 62.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 71.519999999999996 110.93 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.3 31.8 7.37 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.768 -0.73 . . . . 71.439999999999998 112.44 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 20.9 mt -90.87 137.92 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 70.349999999999994 111.18 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -170.29 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.914 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.33 151.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 75.549999999999997 110.882 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.28 72.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 71.109999999999999 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.92 -175.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.400000000000006 110.876 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -164.03 175.55 10.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 65.340000000000003 110.845 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.04 170.14 20.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 73.329999999999998 110.83 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -172.04 168.02 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 74.319999999999993 110.926 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -162.36 173.75 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 110.824 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 128.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 74.329999999999998 110.855 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.329999999999998 110.847 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.762 0.315 . . . . 74.120000000000005 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.79 -171.89 3.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 75.409999999999997 110.839 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -174.07 144.05 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 64.25 110.855 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.61 24.15 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 75.129999999999995 110.902 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -66.99 168.09 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 111.174 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 179.96 33.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.93 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -151.11 159.81 44.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 71.400000000000006 111.002 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -51.64 158.9 0.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.195 -0.457 . . . . 65.329999999999998 110.882 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.9 t -91.49 142.54 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 73.200000000000003 111.15 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -71.52 79.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.200000000000003 110.881 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.2 p -128.04 164.91 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 75.230000000000004 111.124 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.49 102.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 72.010000000000005 110.866 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.0 85.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.792 -0.718 . . . . 53.329999999999998 112.518 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -175.76 145.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 40.130000000000003 110.831 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -179.31 161.47 1.09 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 75.310000000000002 111.017 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 p -140.33 115.06 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 74.530000000000001 111.066 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 70.37 -70.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.924 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.93 21.76 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.839 -0.696 . . . . 55.520000000000003 112.505 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -177.44 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 74.219999999999999 110.921 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -116.59 134.63 54.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 64.329999999999998 110.932 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.71 165.75 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 73.340000000000003 111.007 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -140.34 130.67 25.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 73.200000000000003 110.909 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.39 150.35 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 111.165 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -153.3 156.09 37.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 64.230000000000004 110.86 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.48 129.23 45.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 72.329999999999998 111.118 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -114.38 140.08 48.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.109999999999999 110.867 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -142.79 138.69 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 60.200000000000003 111.07 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.8 132.43 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 71.430000000000007 110.873 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 68.13 11.59 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 75.120000000000005 110.883 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.96 27.69 25.51 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.743 -0.741 . . . . 60.439999999999998 112.465 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -149.65 159.53 44.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.369 . . . . 75.420000000000002 110.922 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -54.98 119.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 75.219999999999999 111.161 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -107.78 -51.62 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 75.040000000000006 110.814 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -130.21 166.68 19.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 73.450000000000003 110.931 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.63 100.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 74.340000000000003 110.898 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.14 130.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.230000000000004 110.864 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.43 173.88 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 72.230000000000004 111.072 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -157.35 172.35 18.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 110.873 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 m -122.44 166.08 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 72.450000000000003 111.098 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.56 -143.76 12.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 72.129999999999995 112.473 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 34.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 71.409999999999997 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -102.17 149.04 36.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.608 0.718 . . . . 72.129999999999995 110.877 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 -49.02 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.704 2.269 . . . . 75.510000000000005 112.342 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.04 94.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.430000000000007 111.088 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.66 -14.25 60.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 73.049999999999997 111.078 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.67 17.99 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 111.071 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 p -117.53 -19.24 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.310000000000002 111.161 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.2 mmm -94.51 20.31 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 73.439999999999998 110.815 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 66.43 -78.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 75.549999999999997 110.905 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -155.09 18.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 60.240000000000002 110.838 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.8 -48.42 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 111.125 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.53 69.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.349999999999994 111.104 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.76 -20.79 62.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 44.530000000000001 112.492 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.23 -55.65 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 73.540000000000006 110.848 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.62 -30.84 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 111.114 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.23 -33.01 4.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 111.099 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.83 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 71.010000000000005 111.111 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.79 -37.13 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 64.310000000000002 111.166 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.02 -67.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.439999999999998 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -57.57 -31.96 66.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 73.219999999999999 110.985 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.73 -39.67 74.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 70.439999999999998 111.067 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.6 t -76.37 -44.25 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.549999999999997 111.045 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -51.37 -49.84 60.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 110.835 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -31.34 56.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 71.230000000000004 110.961 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.31 -35.17 49.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 74.329999999999998 111.134 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.0 t -72.53 -28.79 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 64.109999999999999 110.904 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -70.27 -38.79 75.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 71.120000000000005 110.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mp -85.36 4.58 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.430000000000007 110.926 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.29 20.22 43.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.789 -0.719 . . . . 64.099999999999994 112.451 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 m -109.89 178.1 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.965 0.412 . . . . 75.25 111.093 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -130.59 -170.93 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 74.430000000000007 110.883 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.1 pt -139.56 142.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.140000000000001 111.098 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.12 114.93 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.831 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 pt -158.64 23.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 111.094 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.15 108.04 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 74.430000000000007 110.891 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.98 19.73 10.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 110.871 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -58.05 147.41 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 60.420000000000002 110.878 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -92.3 44.44 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 110.979 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.64 -172.2 3.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 71.209999999999994 111.092 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.45 -33.69 40.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 64.120000000000005 112.458 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.2 mp -69.34 -31.62 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 70.099999999999994 111.109 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.58 82.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.057 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -24.21 16.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 75.230000000000004 110.812 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -78.62 -27.41 45.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 75.439999999999998 110.912 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.91 -10.94 59.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 73.25 111.182 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.2 p -67.87 -41.42 82.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.140000000000001 111.128 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.15 75.47 2.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 75.329999999999998 112.489 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -51.6 -30.3 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 74.319999999999993 110.882 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -76.82 118.91 19.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 74.109999999999999 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 105.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.439999999999998 110.888 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.72 -48.88 17.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 73.349999999999994 111.101 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -82.21 -31.0 30.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 75.409999999999997 110.871 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 63.23 36.42 11.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 72.140000000000001 110.858 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 179.2 153.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 72.450000000000003 110.875 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 71.43 -70.16 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.219999999999999 110.861 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.79 -46.86 71.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.349999999999994 111.141 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.83 -44.74 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.420000000000002 110.939 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.01 98.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 70.5 111.055 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -53.74 -34.48 59.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 73.129999999999995 110.891 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.7 -27.11 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 73.420000000000002 111.084 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -74.6 -45.4 45.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.150000000000006 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.0 mt -54.89 -22.9 16.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 71.200000000000003 110.93 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.2 ttt -51.8 -66.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 71.0 110.849 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -55.34 -30.6 60.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 75.010000000000005 110.885 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -46.14 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 71.239999999999995 110.959 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -131.03 35.91 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 74.409999999999997 110.943 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.38 128.45 34.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 64.099999999999994 110.866 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.6 -20.85 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 64.120000000000005 112.523 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.73 -33.58 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 75.549999999999997 111.065 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -112.46 177.49 4.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.19 129.1 19.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 71.040000000000006 110.808 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.92 173.12 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 71.230000000000004 110.895 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.99 148.87 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 64.040000000000006 110.839 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.45 101.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 73.120000000000005 110.911 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.0 p -108.47 150.56 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 74.299999999999997 111.062 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -130.49 -75.67 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 75.299999999999997 110.872 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.95 136.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.400000000000006 111.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -158.83 -82.1 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 74.549999999999997 110.84 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.4 p 177.44 -175.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 73.120000000000005 110.856 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.31 157.13 25.69 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.735 -0.745 . . . . 75.219999999999999 112.443 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.28 -77.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 73.530000000000001 110.942 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.82 -17.55 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -50.51 -36.99 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 73.040000000000006 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -41.2 48.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 64.120000000000005 110.934 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.73 -24.67 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 64.409999999999997 110.852 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.9 -36.45 48.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 74.420000000000002 110.925 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.6 m -56.45 -23.57 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 74.510000000000005 111.165 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -62.06 -53.22 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 74.310000000000002 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 12.3 ttp -71.57 -32.85 68.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.540000000000006 110.883 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.66 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 74.329999999999998 110.937 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.82 71.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.349999999999994 111.069 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -52.05 -34.29 42.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.230000000000004 110.882 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.6 m -59.33 -41.27 88.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.230000000000004 110.756 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.54 -42.89 75.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.420000000000002 111.076 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.44 -24.23 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.902 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.47 41.73 9.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 72.129999999999995 112.479 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.53 151.12 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 70.420000000000002 111.133 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -176.38 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 75.040000000000006 110.844 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.38 78.74 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 52.119999999999997 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.23 173.76 6.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 110.95 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.48 -171.59 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 65.439999999999998 110.84 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -117.5 156.94 27.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 74.219999999999999 110.823 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.64 159.69 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.430000000000007 110.85 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -177.16 172.2 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 110.803 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -175.76 -64.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 71.230000000000004 110.845 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 69.27 -75.82 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 75.040000000000006 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 71.120000000000005 110.871 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.753 0.311 . . . . 73.010000000000005 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.03 179.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.85 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.21 -169.25 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 64.439999999999998 110.865 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -165.37 31.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.150000000000006 110.852 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 p -50.14 153.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.120000000000005 111.096 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -51.52 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.450000000000003 110.826 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.43 -74.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 75.319999999999993 110.918 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -89.76 153.06 20.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.099999999999994 110.919 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -93.49 146.42 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.510000000000005 111.203 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -70.07 79.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 75.329999999999998 110.913 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -135.42 178.31 7.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 72.109999999999999 111.135 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 64.07 102.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 72.099999999999994 110.85 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.72 -152.15 20.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 65.150000000000006 112.489 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.87 146.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 73.349999999999994 110.926 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -179.72 156.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.120000000000005 110.937 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 p -141.67 113.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.420000000000002 111.142 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 70.06 -71.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 75.010000000000005 110.824 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.5 26.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 64.099999999999994 112.471 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.93 -175.59 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.836 0.35 . . . . 72.299999999999997 110.864 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -129.57 135.54 48.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 110.938 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.16 169.3 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.25 111.17 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -135.92 130.47 33.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 73.310000000000002 110.883 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.83 166.22 22.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 75.310000000000002 111.136 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.83 159.31 26.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 75.239999999999995 110.879 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.43 119.9 40.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 72.310000000000002 111.099 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -106.45 136.84 45.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 110.84 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 t -148.39 131.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 63.43 111.121 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.65 134.87 52.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 75.530000000000001 110.958 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t0 66.39 13.24 9.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.27 -0.423 . . . . 71.140000000000001 110.892 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.6 23.43 36.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 72.109999999999999 112.425 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -149.5 161.29 42.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 75.519999999999996 110.874 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.99 128.14 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.349999999999994 111.107 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -106.44 -59.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.85 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.84 134.46 11.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 75.400000000000006 110.883 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -126.85 132.77 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 73.5 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.37 107.91 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 72.109999999999999 110.878 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.44 -178.64 7.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 71.409999999999997 111.145 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -157.16 148.02 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 75.040000000000006 110.827 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.43 155.33 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 71.530000000000001 111.163 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -107.64 -161.07 21.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 62.340000000000003 112.522 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.65 33.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 75.010000000000005 110.851 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -90.01 154.59 47.45 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.678 0.752 . . . . 75.109999999999999 110.9 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 65.349999999999994 112.398 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.17 -21.63 64.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 73.140000000000001 111.057 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.57 -25.42 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 111.06 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.67 17.54 19.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 55.039999999999999 111.16 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -118.79 -13.5 9.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 70.310000000000002 111.217 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 90.6 mmm -95.52 32.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 73.099999999999994 110.977 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 63.59 28.13 15.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 72.420000000000002 110.913 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 64.0 15.68 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 70.209999999999994 110.843 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.75 -43.03 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 111.14 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.29 -39.29 56.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 72.010000000000005 111.102 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.31 -33.57 58.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.745 -0.74 . . . . 71.019999999999996 112.488 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.17 -54.29 48.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 75.409999999999997 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 mt -67.78 -31.27 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 74.519999999999996 111.17 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.29 -42.29 20.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.239999999999995 111.117 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.07 -48.56 61.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 71.409999999999997 111.085 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.4 -40.68 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 73.109999999999999 111.131 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mt -58.23 -67.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 74.209999999999994 110.846 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -56.14 -32.43 64.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.140000000000001 110.957 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.18 83.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 74.340000000000003 111.061 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.02 -44.49 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 72.450000000000003 111.079 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -51.49 -46.63 63.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 110.946 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -30.12 56.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 110.909 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.06 -31.39 30.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 73.109999999999999 111.073 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.6 t -76.17 -28.46 57.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 65.230000000000004 110.895 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -73.36 -46.85 46.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 70.129999999999995 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.68 -5.16 44.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 73.409999999999997 110.867 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.97 11.77 58.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 72.310000000000002 112.446 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 m -97.53 173.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 72.120000000000005 111.141 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -138.23 148.5 44.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.340000000000003 110.943 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.6 pt -100.04 -178.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 73.129999999999995 111.077 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 128.27 25.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 71.209999999999994 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.6 pt -134.43 -171.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 65.400000000000006 111.151 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.55 -75.85 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 110.95 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -144.76 63.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.019999999999996 110.877 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -51.56 -52.96 42.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 72.519999999999996 110.841 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 50.3 42.21 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 63.130000000000003 110.901 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.01 37.53 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 62.210000000000001 111.145 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.87 -76.92 0.4 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 64.519999999999996 112.476 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.94 -41.88 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 74.219999999999999 111.205 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.26 -23.31 59.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 111.124 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -55.3 27.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 110.908 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.548 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.15 -26.01 36.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 110.918 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.13 -19.55 54.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 72.439999999999998 111.07 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.3 p -65.03 -20.33 66.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 111.103 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.24 72.84 0.54 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.699 -0.762 . . . . 71.109999999999999 112.471 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -99.83 -48.94 4.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 73.340000000000003 110.921 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.51 158.36 38.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.95 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 154.71 39.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 73.239999999999995 110.856 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.91 -17.0 55.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 65.430000000000007 111.09 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.58 -31.16 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.863 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.76 113.44 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 74.540000000000006 110.844 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -73.01 -172.04 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 110.925 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 71.3 -69.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 71.049999999999997 110.882 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -44.65 93.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 72.430000000000007 111.177 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -42.14 49.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 72.349999999999994 110.946 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.3 -35.91 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 72.540000000000006 111.069 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -54.19 -54.02 45.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.430000000000007 110.921 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.64 -29.05 58.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.230000000000004 111.133 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -49.96 20.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.299999999999997 110.902 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.64 -18.11 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.239999999999995 110.925 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -66.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 75.230000000000004 110.858 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.47 -32.32 57.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 51.329999999999998 110.906 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -48.99 53.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 75.420000000000002 110.893 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -124.04 31.83 5.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 75.209999999999994 110.898 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 133.25 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 75.319999999999993 110.914 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.66 -19.63 0.69 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.652 -0.785 . . . . 63.439999999999998 112.399 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.1 -33.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 73.120000000000005 111.153 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -125.5 178.07 5.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 75.420000000000002 110.885 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -167.42 161.65 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 71.129999999999995 110.851 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -156.73 172.35 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 72.040000000000006 110.818 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -170.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 73.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -75.94 68.03 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 73.129999999999995 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 m -56.88 120.7 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.439999999999998 111.115 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -112.36 -75.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 110.889 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.548 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -179.77 139.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 71.329999999999998 111.112 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -159.75 153.45 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 72.349999999999994 110.853 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -75.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 65.010000000000005 110.861 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 167.13 167.17 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 65.239999999999995 112.537 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -174.71 -161.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.744 0.307 . . . . 64.209999999999994 110.919 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.41 8.67 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.91 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -50.17 -36.94 32.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 73.120000000000005 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -76.56 -39.93 51.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.310000000000002 110.877 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.59 -24.56 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 63.240000000000002 110.859 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -59.72 -44.54 93.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 110.877 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.0 m -55.87 -21.2 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 72.310000000000002 111.18 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.14 -47.24 85.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.87 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 13.6 ttp -72.97 -44.54 60.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 73.329999999999998 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -53.68 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 74.230000000000004 110.889 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.06 -34.06 54.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 74.219999999999999 111.083 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -30.93 33.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 74.430000000000007 110.865 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.07 -37.53 38.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 75.540000000000006 110.801 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.87 95.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 111.094 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -49.97 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 73.150000000000006 110.926 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 120.49 82.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 74.099999999999994 112.556 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 41.1 mm -115.15 141.54 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 75.549999999999997 111.126 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 171.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.132 -0.485 . . . . 75.019999999999996 110.929 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.23 149.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 73.010000000000005 110.902 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.33 73.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.867 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -175.99 -174.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 72.310000000000002 110.923 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -166.04 97.83 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 72.030000000000001 110.871 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -174.63 170.77 3.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 71.340000000000003 110.882 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 62.96 103.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 75.310000000000002 110.833 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.15 124.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.823 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -137.8 -65.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 110.928 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 74.349999999999994 110.927 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.831 0.348 . . . . 72.409999999999997 110.783 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.85 159.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 64.120000000000005 110.896 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.51 139.63 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.874 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -106.86 20.08 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -94.47 159.85 14.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.107 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -179.35 50.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 63.229999999999997 110.872 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -131.87 -86.89 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 75.420000000000002 110.901 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -153.56 156.15 37.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 65.209999999999994 110.824 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.4 t -100.75 139.37 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 75.439999999999998 111.076 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -72.62 78.27 1.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 73.329999999999998 110.905 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 p -120.02 178.38 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 71.230000000000004 111.183 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.43 90.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 53.009999999999998 110.93 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.68 -93.63 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 70.049999999999997 112.504 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 p -176.99 -75.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 73.439999999999998 110.888 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 p90 179.48 172.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 74.129999999999995 110.96 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 p -141.68 109.93 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 73.5 111.123 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 69.69 -71.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 70.340000000000003 110.853 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.45 20.52 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 74.409999999999997 112.464 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.2 -176.25 3.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 74.230000000000004 110.903 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -110.81 134.44 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.450000000000003 110.985 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.01 171.93 8.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 61.329999999999998 111.031 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -155.7 130.49 9.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.510000000000005 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.75 175.65 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 71.319999999999993 111.141 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.31 171.27 20.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.924 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.85 126.97 54.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 63.100000000000001 111.162 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -110.07 139.96 44.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 72.150000000000006 110.905 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 t -144.17 132.03 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 73.519999999999996 111.137 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.55 132.55 49.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 74.219999999999999 110.858 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 67.58 11.88 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 74.129999999999995 110.837 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.75 26.13 23.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 63.420000000000002 112.462 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -149.47 162.36 40.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 75.409999999999997 110.88 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.51 120.9 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 74.430000000000007 111.152 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -107.71 -48.55 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 75.219999999999999 110.893 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.04 177.51 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 110.909 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.38 111.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 74.310000000000002 110.888 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.22 -176.93 1.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 72.450000000000003 110.934 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.69 172.67 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 74.340000000000003 111.089 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -153.98 168.35 26.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 55.350000000000001 110.914 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 m -118.54 156.92 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.409999999999997 111.108 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.17 151.15 18.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.691 -0.766 . . . . 74.109999999999999 112.475 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 47.47 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 74.439999999999998 110.916 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -94.94 156.42 38.01 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 71.329999999999998 110.886 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -42.68 3.15 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.743 2.295 . . . . 75.409999999999997 112.306 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.63 -31.66 59.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 73.040000000000006 111.054 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.58 -52.05 10.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 73.349999999999994 111.082 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.99 -39.79 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 74.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -41.77 78.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 73.530000000000001 111.119 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.4 mmm -118.48 59.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.87 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.95 161.52 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 75.510000000000005 110.877 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.5 t30 72.38 -69.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.867 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.7 t -52.31 -46.4 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 74.5 111.114 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.89 -27.24 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 111.092 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.14 -51.63 42.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 72.019999999999996 112.431 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.67 -43.1 72.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 74.140000000000001 110.898 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 mt -73.77 -32.46 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 111.123 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.29 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 111.092 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.97 -47.21 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 60.109999999999999 111.059 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.64 -40.83 63.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.239999999999995 111.077 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.91 -67.03 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.414 . . . . 75.209999999999994 110.892 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -57.39 -36.18 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 74.450000000000003 110.952 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.54 -38.58 78.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 70.030000000000001 111.078 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.1 t -76.13 -45.29 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 63.539999999999999 111.089 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -51.93 -45.93 64.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 75.420000000000002 110.891 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -76.29 -31.42 58.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.293 -0.412 . . . . 64.319999999999993 110.859 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.8 -31.77 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.340000000000003 111.133 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -76.3 -33.78 59.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 75.219999999999999 110.906 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -63.97 -40.53 96.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 72.239999999999995 110.903 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.3 mp -83.81 2.43 38.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 75.439999999999998 110.846 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.73 21.6 36.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 75.129999999999995 112.485 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.6 m -112.01 -179.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 75.409999999999997 111.087 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.84 157.46 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 110.883 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.8 pt -99.57 179.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 75.510000000000005 111.177 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.3 126.06 45.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.5 pp -139.09 -35.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.409999999999997 111.129 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -48.65 -74.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 73.230000000000004 110.939 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -92.71 44.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.030000000000001 110.85 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.17 -55.87 3.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 64.519999999999996 110.863 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 58.41 22.58 9.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.471 . . . . 75.150000000000006 110.915 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.07 174.19 5.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 74.439999999999998 111.16 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.95 -23.88 32.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 71.540000000000006 112.51 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.64 -46.35 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 75.120000000000005 111.139 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.86 -26.11 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 72.549999999999997 111.053 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -56.84 -56.56 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 110.928 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.95 -17.79 45.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 75.239999999999995 110.928 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 115' ' ' VAL . . . -54.1 -24.16 16.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 62.140000000000001 111.162 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.5 p -64.27 -19.91 65.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 111.161 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.86 87.05 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.763 -0.732 . . . . 74.109999999999999 112.527 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -99.9 -51.03 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 52.200000000000003 110.867 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.08 140.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 61.130000000000003 110.897 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 88.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.230000000000004 110.873 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.57 -49.07 15.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.209999999999994 111.056 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -54.93 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 75.109999999999999 110.895 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 51.36 65.38 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.843 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -159.4 -74.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 75.099999999999994 110.88 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -101.57 -35.73 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.329999999999998 110.874 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -34.81 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 111.217 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -65.0 -41.28 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.200000000000003 110.924 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.11 -32.95 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.349999999999994 111.145 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -53.51 -54.48 36.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.919 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.47 -30.53 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 64.329999999999998 111.041 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -74.64 -45.53 44.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 75.129999999999995 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.93 -22.52 65.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 75.200000000000003 110.899 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.8 ttt -55.34 -67.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 65.319999999999993 110.877 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.84 -30.34 61.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 74.120000000000005 110.85 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -43.95 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.919 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.99 36.82 3.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 110.9 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 162.76 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 74.209999999999994 110.953 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.32 -51.87 0.81 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 71.400000000000006 112.462 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -27.76 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 72.439999999999998 111.139 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -128.93 177.53 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.109999999999999 110.971 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 m -155.51 161.72 40.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 74.439999999999998 110.846 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -170.51 170.5 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.430000000000007 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.46 172.48 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 75.219999999999999 110.912 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -70.03 83.34 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 70.400000000000006 110.871 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . 3.8 m -62.33 149.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 73.549999999999997 111.098 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.27 -73.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.922 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 178.23 97.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 75.519999999999996 111.096 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -176.26 152.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 65.120000000000005 110.847 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.3 m -177.12 160.09 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.010000000000005 110.916 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.37 82.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 53.119999999999997 112.484 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -179.84 177.0 0.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.754 0.311 . . . . 73.420000000000002 110.909 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -95.28 3.62 54.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 72.239999999999995 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -52.15 -29.56 22.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 75.540000000000006 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -77.07 -49.44 15.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 71.140000000000001 110.879 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.87 -24.13 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 63.340000000000003 110.871 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -52.07 -28.93 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.109999999999999 110.971 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.1 m -57.4 -20.24 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 75.150000000000006 111.144 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -59.08 -52.82 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.826 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -40.43 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.420000000000002 110.891 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -53.33 59.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 71.329999999999998 110.976 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.92 -34.39 55.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.409999999999997 111.111 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -52.57 -39.09 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 71.230000000000004 110.88 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -32.38 44.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 75.120000000000005 110.822 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.91 74.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 61.109999999999999 111.093 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.13 -46.94 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.530000000000001 110.95 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 117.65 88.45 1.3 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.758 -0.734 . . . . 35.539999999999999 112.501 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 42.4 mm -115.74 144.04 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 65.439999999999998 111.135 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 171.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.099999999999994 110.888 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.27 -179.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 63.219999999999999 110.835 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.17 -175.35 5.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 74.420000000000002 110.914 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -54.24 127.38 26.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 73.430000000000007 110.93 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -167.94 146.64 4.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.882 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -164.61 98.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.430000000000007 110.899 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -175.44 133.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.010000000000005 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -170.44 30.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 74.219999999999999 110.904 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 55.45 -174.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.019999999999996 110.83 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 74.420000000000002 110.926 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.352 . . . . 74.109999999999999 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.63 179.06 8.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 73.239999999999995 110.85 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -142.55 -170.81 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 110.854 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -116.14 23.13 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.120000000000005 110.945 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 p -62.74 149.74 43.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 64.140000000000001 111.146 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.11 -53.67 6.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 74.150000000000006 110.878 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 179.61 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 75.439999999999998 110.91 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -82.73 165.12 20.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 110.862 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 67.8 t -111.43 142.96 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.120000000000005 111.151 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.34 79.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.200000000000003 110.904 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.0 p -122.53 178.76 4.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 75.329999999999998 111.17 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.73 85.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.010000000000005 110.856 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.92 85.79 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 73.409999999999997 112.473 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.39 141.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 74.230000000000004 110.808 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -179.34 161.67 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.501 . . . . 75.530000000000001 110.971 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.7 p -135.51 115.55 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 111.14 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 70.35 -70.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.230000000000004 110.84 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.24 22.43 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 64.409999999999997 112.515 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.98 -177.91 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 75.099999999999994 110.904 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -109.82 134.59 51.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 73.420000000000002 110.879 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.2 173.13 11.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 55.329999999999998 111.09 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 -144.13 130.41 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.129999999999995 110.901 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.11 132.68 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 72.510000000000005 111.086 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -136.58 144.89 44.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.450000000000003 110.963 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.31 129.3 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 54.43 111.085 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -117.32 128.14 54.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 75.349999999999994 110.833 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -150.46 109.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.510000000000005 111.167 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 142.77 47.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.873 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t0 73.72 6.73 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 75.140000000000001 110.843 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.01 26.7 28.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 72.25 112.491 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -149.92 162.68 39.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 75.209999999999994 110.833 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.96 114.36 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 71.299999999999997 111.112 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -95.79 -39.55 9.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 73.540000000000006 110.837 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 -179.19 5.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 73.319999999999993 110.87 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.14 -177.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 73.099999999999994 110.875 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.39 164.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 64.230000000000004 110.866 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.66 -173.51 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 111.12 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -153.38 156.77 38.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.340000000000003 110.897 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.7 m -112.47 172.74 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.5 111.074 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.63 -152.38 10.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.796 -0.716 . . . . 72.310000000000002 112.51 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 34.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 74.209999999999994 110.933 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.95 151.88 38.02 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.629 0.728 . . . . 75.409999999999997 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.91 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 71.409999999999997 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.84 -24.85 62.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 72.420000000000002 111.12 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.18 -57.15 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 53.219999999999999 111.144 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.12 -38.82 71.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 44.119999999999997 111.126 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -57.87 -24.38 57.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 73.239999999999995 111.162 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mtp -95.15 17.67 13.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.150000000000006 110.846 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 69.85 -73.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 74.120000000000005 110.845 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -162.74 22.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 62.399999999999999 110.947 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.4 t -74.4 -50.88 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 74.230000000000004 111.097 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.59 97.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 72.209999999999994 111.046 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.04 -24.46 35.24 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.798 -0.715 . . . . 62.329999999999998 112.484 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -73.46 -54.42 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 75.430000000000007 110.934 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.51 -31.62 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.530000000000001 111.115 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.66 -31.93 7.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 70.310000000000002 111.067 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.62 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 64.430000000000007 111.106 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.6 -31.69 37.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 74.439999999999998 111.062 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.68 -67.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 64.239999999999995 110.932 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.27 -30.56 66.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 71.120000000000005 110.96 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.23 86.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 74.120000000000005 111.13 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 91.7 t -76.17 -45.29 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 75.349999999999994 111.127 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -53.51 -48.14 69.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 72.540000000000006 110.904 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -76.85 -30.63 56.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 74.409999999999997 110.927 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.93 -35.33 45.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 74.519999999999996 111.056 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.1 t -70.34 -28.48 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 71.209999999999994 110.845 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -73.93 -39.88 63.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.010000000000005 110.941 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mp -86.47 -6.64 58.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.13 35.18 41.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 75.5 112.513 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.9 m -107.91 -32.65 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 74.299999999999997 111.094 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.87 -169.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 74.430000000000007 110.863 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 pt -142.42 179.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 111.097 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 127.97 31.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.299999999999997 110.857 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.5 pt -100.68 153.58 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.519999999999996 111.139 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.9 mt 65.52 -168.19 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 73.150000000000006 110.945 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -49.83 121.2 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 74.230000000000004 110.848 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -110.43 12.45 23.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 75.150000000000006 110.911 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 54.35 25.71 6.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 71.420000000000002 110.989 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.71 -169.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 73.329999999999998 111.113 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.99 -14.62 73.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 64.200000000000003 112.543 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.1 mm -80.08 -45.91 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 74.519999999999996 111.113 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.91 62.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 75.329999999999998 111.075 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.7 -48.57 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.540000000000006 110.844 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -30.09 36.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 110.914 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.03 -14.27 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 63.140000000000001 111.101 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.3 p -64.14 -23.42 67.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 62.229999999999997 111.205 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 65.3 67.73 1.92 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 51.030000000000001 112.477 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -99.97 -24.72 14.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 75.230000000000004 110.818 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -123.51 159.38 29.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.954 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.58 153.98 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 74.030000000000001 110.907 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.77 -4.36 43.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 111.111 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.47 2.0 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 65.030000000000001 110.923 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.42 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 63.299999999999997 110.898 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -132.6 -165.02 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -83.46 8.22 14.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 72.530000000000001 110.897 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -24.46 11.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 74.239999999999995 111.135 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -47.32 -50.19 22.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 74.450000000000003 110.924 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.32 83.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 111.176 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -54.37 -42.09 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.926 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.95 -28.1 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 64.219999999999999 111.055 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -73.95 -47.61 36.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.400000000000006 110.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.4 mt -54.9 -21.48 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 64.430000000000007 110.97 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -66.26 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 74.409999999999997 110.879 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -53.27 -32.63 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 72.319999999999993 110.929 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -49.13 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 73.099999999999994 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -121.5 31.02 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 72.200000000000003 110.877 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.94 130.14 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 72.239999999999995 110.872 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.05 -21.22 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 71.25 112.555 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.21 -33.82 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.797 0.332 . . . . 72.120000000000005 111.067 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -120.56 178.25 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 74.530000000000001 110.945 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.43 156.13 37.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 75.019999999999996 110.902 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -164.61 167.67 18.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 74.230000000000004 110.835 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -176.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 74.310000000000002 110.961 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 81.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 71.200000000000003 110.891 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 5.8 m -64.02 131.86 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 70.209999999999994 111.111 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -145.44 -79.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 74.299999999999997 110.848 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 177.93 119.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 75.310000000000002 111.053 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -147.28 -78.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 75.310000000000002 110.851 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 p 178.64 -175.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 72.239999999999995 110.912 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 169.26 137.39 2.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.805 -0.712 . . . . 72.450000000000003 112.509 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.32 -75.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.793 0.33 . . . . 73.239999999999995 110.877 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -84.0 -31.42 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 73.340000000000003 110.879 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -51.02 -35.65 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 71.409999999999997 110.878 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -42.39 45.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 72.109999999999999 110.862 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -51.55 -24.22 5.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 71.409999999999997 110.923 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -51.79 -34.7 41.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 73.530000000000001 110.924 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 28.6 m -56.46 -23.47 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 111.082 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -56.1 -51.66 67.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 72.120000000000005 110.88 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -49.21 37.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 64.140000000000001 110.945 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -36.19 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.349999999999994 110.869 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.71 64.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 75.519999999999996 111.164 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -51.87 -32.49 32.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 72.230000000000004 110.888 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.2 t -77.63 -32.31 53.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 63.32 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.88 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 64.049999999999997 111.081 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.84 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 137.54 38.19 0.14 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 72.120000000000005 112.463 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.3 mm -64.98 -27.45 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 72.319999999999993 111.164 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 64.62 119.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 74.450000000000003 110.892 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.53 -177.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.129999999999995 110.926 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.8 178.26 10.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 72.150000000000006 110.856 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.33 -175.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 65.040000000000006 110.926 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -163.57 80.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 75.019999999999996 110.881 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.14 114.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.856 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 103.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 74.5 110.92 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -179.17 63.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 72.340000000000003 110.858 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -110.61 132.27 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 74.400000000000006 110.877 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.824 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.766 0.317 . . . . 73.329999999999998 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -169.1 132.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 74.049999999999997 110.864 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -136.3 -168.67 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.540000000000006 110.843 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -149.73 18.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 74.299999999999997 110.859 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.6 p -80.01 179.67 7.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.46 . . . . 73.140000000000001 111.151 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -174.4 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -51.77 163.89 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 75.109999999999999 110.911 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.49 155.16 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 74.310000000000002 110.956 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.5 t -90.59 143.12 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 75.140000000000001 111.103 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -70.65 78.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 74.040000000000006 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.5 p -130.65 178.19 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 74.219999999999999 111.129 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.31 94.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 72.239999999999995 110.899 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.06 -158.08 30.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.807 -0.711 . . . . 75.329999999999998 112.562 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p 65.63 149.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 71.340000000000003 110.899 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -179.47 137.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.349999999999994 110.966 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.66 122.5 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 71.209999999999994 111.126 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 t30 62.28 -82.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 75.239999999999995 110.905 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.37 22.03 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 71.420000000000002 112.47 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 -178.02 4.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 73.099999999999994 110.925 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -133.14 134.59 44.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.969 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.74 165.52 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 64.340000000000003 111.14 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.7 p90 -130.47 154.28 47.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 74.5 110.898 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.42 160.84 43.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 61.539999999999999 111.014 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -159.54 150.61 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.916 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.51 125.84 48.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 72.019999999999996 111.079 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -109.08 140.28 42.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 110.932 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.4 t -143.54 126.3 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.329999999999998 111.209 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -123.81 137.55 54.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 74.099999999999994 110.864 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.46 13.03 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 55.420000000000002 110.869 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.31 15.89 58.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 71.219999999999999 112.482 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -138.85 166.0 25.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.745 0.307 . . . . 75.530000000000001 110.949 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.63 121.63 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 74.030000000000001 111.121 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -107.67 -51.71 2.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 71.519999999999996 110.86 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.1 172.45 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.030000000000001 110.921 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.98 111.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 73.5 110.842 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -178.6 162.4 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 72.439999999999998 110.859 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -132.19 166.87 20.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 111.124 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -135.91 145.3 46.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 75.140000000000001 110.867 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -110.2 155.5 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 111.105 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.88 -162.96 16.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 64.329999999999998 112.505 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 44.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 71.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -108.75 155.66 40.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 75.439999999999998 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.4 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.244 . . . . 65.400000000000006 112.325 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.28 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.140000000000001 111.095 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.2 -52.68 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 43.130000000000003 111.083 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.7 -24.07 46.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 75.409999999999997 111.039 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 t -70.63 -9.95 58.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 74.510000000000005 111.143 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.35 25.49 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 72.25 110.872 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 64.31 -82.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 71.109999999999999 110.887 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -153.78 19.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 62.329999999999998 110.897 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.46 -40.58 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 73.239999999999995 111.127 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.36 -24.21 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.081 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.6 -20.52 78.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 74.129999999999995 112.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.15 -36.46 66.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 75.439999999999998 110.928 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 mt -76.45 -31.43 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.150000000000006 111.043 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.68 -31.49 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 63.43 111.1 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.29 -53.29 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 111.107 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.65 -38.16 59.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 63.420000000000002 111.09 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.0 mt -52.47 -67.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 110.911 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -65.85 -34.07 77.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 74.030000000000001 110.879 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.04 -41.45 75.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 73.209999999999994 111.15 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.0 t -76.45 -47.24 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 111.18 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -51.06 -49.68 60.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 74.409999999999997 110.924 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.5 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 71.310000000000002 110.909 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.72 -32.78 44.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 72.099999999999994 111.114 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 t -75.9 -28.58 58.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.430000000000007 110.869 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.21 -41.1 74.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 60.140000000000001 110.948 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.08 -0.49 40.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 72.329999999999998 110.916 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.75 23.58 58.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.799 -0.715 . . . . 61.549999999999997 112.505 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 m -111.4 -172.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 72.019999999999996 111.135 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -138.35 149.77 45.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.409999999999997 110.942 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.7 pt -100.39 -178.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 73.030000000000001 111.124 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.08 145.64 12.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 73.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.4 tt -125.72 -43.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 75.150000000000006 111.133 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.77 -177.4 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.299999999999997 110.896 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.11 21.91 8.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 71.430000000000007 110.878 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -120.56 118.45 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 63.119999999999997 110.823 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -93.84 33.66 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 75.230000000000004 110.898 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.4 -169.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 74.299999999999997 111.1 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -80.96 -31.81 34.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.798 -0.715 . . . . 70.010000000000005 112.497 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -57.26 -45.98 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 75.030000000000001 111.126 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.91 -8.17 56.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.230000000000004 111.12 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -79.29 -56.16 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 73.439999999999998 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -19.38 42.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 74.420000000000002 110.978 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.3 -36.92 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 71.010000000000005 111.171 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.8 p -89.53 12.95 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 62.130000000000003 111.141 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.66 81.21 0.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 72.219999999999999 112.43 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.84 -29.39 19.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 73.010000000000005 110.874 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -76.45 125.66 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 72.109999999999999 110.94 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -107.96 95.99 6.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 72.019999999999996 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.7 -44.5 33.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.420000000000002 111.116 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -84.22 -53.65 5.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 74.140000000000001 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.7 p30 41.64 39.75 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 74.120000000000005 110.839 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -136.69 -47.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.977 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -104.08 -57.69 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 62.299999999999997 110.889 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -32.42 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 74.340000000000003 111.187 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -52.42 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.150000000000006 110.848 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.87 73.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 51.109999999999999 111.126 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -53.11 -44.68 67.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.939 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.02 -31.64 72.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.512 . . . . 62.329999999999998 111.068 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -74.66 -44.67 49.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 63.530000000000001 110.879 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.26 -21.29 8.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.400000000000006 110.883 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -66.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -53.88 -30.65 46.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 75.530000000000001 110.865 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.32 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.439999999999998 110.905 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.57 25.74 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 110.915 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -76.68 126.71 31.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 74.140000000000001 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 159.0 -22.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 73.540000000000006 112.521 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -33.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 75.040000000000006 111.079 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -117.48 178.23 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.030000000000001 110.891 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.2 t -148.92 161.35 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 74.439999999999998 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -176.2 173.02 2.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 73.349999999999994 110.884 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.06 164.89 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 75.510000000000005 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -51.59 148.65 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.230000000000004 110.953 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.54 137.11 54.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 71.319999999999993 111.105 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -113.93 -78.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 74.540000000000006 110.941 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 178.57 119.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 111.042 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.6 155.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.129999999999995 110.829 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 p -179.7 -175.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 74.019999999999996 110.784 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 103.2 71.69 0.88 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 60.219999999999999 112.469 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.82 -167.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.311 . . . . 74.319999999999993 110.887 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.59 11.84 30.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.858 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -49.52 -28.66 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 74.510000000000005 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -75.52 -41.65 54.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.040000000000006 110.871 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.77 -24.52 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 71.519999999999996 110.871 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.42 -38.76 59.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 75.329999999999998 110.929 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.0 m -56.19 -22.05 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 75.120000000000005 111.098 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -50.03 73.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 64.5 110.817 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 11.6 ttp -72.34 -42.21 65.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 72.329999999999998 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -54.06 48.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 75.430000000000007 110.867 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.46 -34.14 56.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.099999999999994 111.109 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.48 -31.38 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.885 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.7 m -75.23 -35.56 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 110.784 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.59 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 71.530000000000001 111.121 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.0 mt -74.67 -61.32 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 74.109999999999999 110.952 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 130.09 39.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 73.239999999999995 112.515 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.5 mm -71.88 153.03 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 74.129999999999995 111.168 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.04 165.94 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 71.099999999999994 110.855 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.75 -171.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 75.099999999999994 110.886 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.89 -178.06 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 74.349999999999994 110.941 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.69 -74.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 75.209999999999994 110.866 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.35 161.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 75.510000000000005 110.84 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -179.24 88.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.846 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -133.13 146.16 51.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.329999999999998 110.819 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -177.92 147.4 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 63.450000000000003 110.878 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.76 154.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.310000000000002 110.85 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 12.8 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 72.329999999999998 110.806 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mtp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.783 0.325 . . . . 73.140000000000001 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -107.17 166.4 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 72.030000000000001 110.865 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -135.68 -168.78 2.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 73.530000000000001 110.895 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -162.95 32.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.409999999999997 110.883 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 p -49.93 155.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 73.25 111.146 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.27 -72.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.409999999999997 110.949 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -167.98 -67.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.129999999999995 110.911 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -92.74 155.62 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 74.129999999999995 110.896 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.08 143.31 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.140000000000001 111.102 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -70.24 79.19 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 73.450000000000003 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -117.07 178.53 4.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 70.030000000000001 111.144 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 51.74 30.36 6.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 71.519999999999996 110.87 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.72 79.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 61.119999999999997 112.447 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 p -179.32 104.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.846 0.355 . . . . 65.120000000000005 110.839 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -162.39 164.29 27.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 75.219999999999999 110.934 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.55 123.05 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 111.129 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 t30 62.56 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 71.450000000000003 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.44 18.4 1.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 75.340000000000003 112.458 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -90.78 -175.79 4.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.876 0.369 . . . . 74.209999999999994 110.932 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -137.0 134.52 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.219999999999999 110.957 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.73 156.52 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.209999999999994 111.116 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 70.4 p-90 -123.57 130.36 52.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.911 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.98 145.61 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.150000000000006 111.181 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -137.29 175.35 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 71.310000000000002 110.951 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.57 146.92 26.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 63.340000000000003 111.084 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.78 140.17 51.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 110.802 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 t -151.48 133.52 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 71.439999999999998 111.124 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -128.65 135.3 49.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 73.049999999999997 110.897 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.52 12.18 8.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 72.340000000000003 110.888 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.75 22.79 35.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 51.539999999999999 112.508 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -149.76 159.26 44.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.808 0.337 . . . . 74.5 110.956 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -54.94 129.15 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.150000000000006 111.13 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -105.56 -53.15 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.783 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.09 -173.9 3.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 70.140000000000001 110.959 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.34 107.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 75.430000000000007 110.857 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.47 -177.98 1.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 74.530000000000001 110.903 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -168.95 -175.37 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 73.150000000000006 111.111 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.95 151.57 23.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 110.892 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -118.78 155.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.129999999999995 111.097 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.08 162.5 12.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 64.239999999999995 112.456 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 42.39 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 74.530000000000001 110.94 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -92.55 154.77 42.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 65.340000000000003 110.908 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.49 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.722 2.281 . . . . 75.040000000000006 112.384 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.67 -24.49 56.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 65.230000000000004 111.064 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.87 -48.5 6.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 74.540000000000006 111.105 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.48 62.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 61.210000000000001 111.11 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 t -58.27 -21.79 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.219999999999999 111.107 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.88 21.25 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 65.519999999999996 110.823 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 66.24 -77.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 110.915 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -159.56 22.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 73.450000000000003 110.913 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -73.52 -51.05 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 73.310000000000002 111.1 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.38 -27.41 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 73.5 111.109 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.21 -20.75 78.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 74.329999999999998 112.475 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -70.27 -54.92 10.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.852 0.358 . . . . 73.319999999999993 110.874 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.6 mt -67.32 -31.31 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 75.120000000000005 111.222 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.61 -50.52 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.530000000000001 111.118 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.44 -53.35 30.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 111.091 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.94 -32.37 32.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 75.400000000000006 111.156 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.2 mt -66.29 -67.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.329999999999998 110.933 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -58.33 -26.23 62.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 74.310000000000002 110.973 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.47 87.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 61.219999999999999 111.085 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.6 t -76.28 -36.77 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 73.010000000000005 111.162 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -60.24 -45.37 93.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 73.310000000000002 110.905 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -75.94 -30.24 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 72.310000000000002 110.962 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.07 -36.82 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 75.430000000000007 111.126 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.2 t -71.15 -28.79 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.439999999999998 110.816 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -73.14 -47.69 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.510000000000005 110.946 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.78 -7.73 53.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 74.120000000000005 110.924 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.93 25.53 72.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 72.400000000000006 112.449 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 m -110.24 -171.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 74.129999999999995 111.187 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -133.27 -179.55 5.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.879 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.5 pt -142.13 -179.38 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.209999999999994 111.119 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 143.03 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.140000000000001 110.883 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 pt -133.63 -39.92 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 72.230000000000004 111.153 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -47.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 73.319999999999993 110.914 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -73.47 76.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.140000000000001 110.882 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -175.68 117.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 73.420000000000002 110.812 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.74 27.52 3.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 71.319999999999993 110.938 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.28 -179.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 74.430000000000007 111.08 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.74 -11.0 72.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.757 . . . . 73.239999999999995 112.485 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.42 -46.44 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.359 . . . . 73.329999999999998 111.126 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.28 -5.77 55.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 64.310000000000002 111.143 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -85.56 -55.24 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 72.040000000000006 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -21.67 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 74.349999999999994 110.905 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.29 -31.66 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 44.140000000000001 111.087 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.4 p -67.15 -41.88 85.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 62.329999999999998 111.137 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.16 105.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 71.140000000000001 112.502 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -100.16 -62.82 1.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 75.409999999999997 110.863 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.55 159.13 16.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.155 -0.475 . . . . 72.049999999999997 110.91 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -67.2 86.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 75.430000000000007 110.925 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.51 1.01 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 72.099999999999994 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -47.1 -27.8 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 61.140000000000001 110.818 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -102.73 68.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 75.109999999999999 110.895 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -153.01 -84.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 72.019999999999996 110.857 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 172.74 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 72.099999999999994 110.892 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -26.49 9.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 62.020000000000003 111.076 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -45.37 46.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 75.349999999999994 110.929 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.7 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.530000000000001 111.087 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -53.94 -38.09 64.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 74.129999999999995 110.965 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.4 67.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 61.130000000000003 111.075 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -74.18 -45.47 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.439999999999998 110.907 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.4 mt -52.0 -23.38 5.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 110.901 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.1 ttp -51.97 -66.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 65.030000000000001 110.847 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.87 -31.36 59.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 64.340000000000003 110.875 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -40.9 41.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 75.340000000000003 110.961 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -134.15 32.55 3.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 64.319999999999993 110.881 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 127.41 32.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.209999999999994 110.873 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.21 -22.19 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 65.310000000000002 112.457 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.0 -31.67 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 64.5 111.103 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -120.67 177.64 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 75.430000000000007 110.955 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -154.15 161.13 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.340000000000003 110.848 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -176.48 171.21 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 75.5 110.844 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 163.87 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 73.129999999999995 110.913 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 132.04 26.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 110.894 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.63 123.9 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.209999999999994 111.118 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -107.75 -78.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 70.329999999999998 110.932 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 177.96 153.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 75.549999999999997 111.093 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.82 -168.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.230000000000004 110.783 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 m -92.53 -169.06 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.450000000000003 110.846 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.23 -170.59 46.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 50.109999999999999 112.509 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.89 -177.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 72.329999999999998 110.924 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -98.71 -7.48 27.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 73.219999999999999 110.941 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -54.13 -29.55 45.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 74.010000000000005 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -71.56 -36.3 70.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 73.510000000000005 110.844 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.51 -25.0 50.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 71.510000000000005 110.804 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.8 -35.77 57.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 74.420000000000002 110.936 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.8 m -56.09 -21.12 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 73.439999999999998 111.105 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -60.6 -49.79 76.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 75.329999999999998 110.868 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttm -72.64 -40.66 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.867 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -54.52 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 71.010000000000005 110.951 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.74 -34.93 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 60.409999999999997 111.122 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -52.29 -35.28 49.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 73.099999999999994 110.88 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 62.9 m -72.2 -32.25 66.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 62.420000000000002 110.869 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.8 96.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 74.209999999999994 111.069 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.3 -50.38 33.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 73.209999999999994 110.924 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 125.53 85.53 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 74.519999999999996 112.47 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.0 mm -121.61 147.06 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.35 . . . . 75.319999999999993 111.173 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -59.59 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 74.420000000000002 110.852 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -179.23 170.47 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 70.439999999999998 110.89 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.41 85.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 64.129999999999995 110.848 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -52.09 159.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.239999999999995 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.76 -44.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.099999999999994 110.932 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.52 -179.47 7.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 75.109999999999999 110.883 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -172.48 -177.76 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 64.329999999999998 110.815 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.73 -173.82 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 71.010000000000005 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -152.54 26.21 0.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.832 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 62.399999999999999 110.854 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.768 0.318 . . . . 71.540000000000006 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.98 154.71 40.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 71.349999999999994 110.867 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -135.2 -168.57 2.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 73.200000000000003 110.877 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -159.52 26.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.861 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -59.07 150.42 24.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 111.126 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.34 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.473 . . . . 73.299999999999997 110.939 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -179.15 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 110.938 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -63.41 134.2 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 71.030000000000001 110.866 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.4 t -91.47 141.35 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 73.5 111.081 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -68.69 85.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 74.530000000000001 110.936 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 p -128.24 178.4 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 74.140000000000001 111.198 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.37 88.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 63.210000000000001 110.855 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.34 86.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.757 . . . . 72.299999999999997 112.446 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.33 126.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.996 0.427 . . . . 75.299999999999997 110.8 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -179.23 156.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 75.140000000000001 110.954 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.7 p -137.67 116.05 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 73.140000000000001 111.143 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 70.53 -70.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 71.239999999999995 110.829 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.02 20.69 0.36 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.695 -0.764 . . . . 64.129999999999995 112.447 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.53 -179.17 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 74.120000000000005 110.959 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -136.81 134.78 37.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 64.049999999999997 110.937 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.75 158.86 43.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.340000000000003 111.153 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -124.92 130.11 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 74.299999999999997 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.1 136.8 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 71.420000000000002 111.096 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 24' ' ' TYR . 1.7 p90 -128.25 178.51 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.219999999999999 110.909 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.74 146.29 30.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 61.219999999999999 111.135 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.41 140.76 35.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 74.439999999999998 110.895 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 t -150.23 135.06 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.156 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -128.15 133.88 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.855 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t0 69.04 10.48 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 110.852 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.42 20.75 34.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 55.130000000000003 112.522 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -149.61 155.08 39.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 71.109999999999999 110.869 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.06 108.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 71.319999999999993 111.125 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -68.9 -59.4 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.349999999999994 110.85 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -142.21 175.18 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.886 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.61 118.88 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 74.010000000000005 110.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.74 142.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 64.209999999999994 110.833 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.94 -168.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 72.319999999999993 111.109 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -156.63 153.95 29.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.877 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.07 155.42 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 111.14 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.71 157.79 20.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 54.32 112.45 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.14 31.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.756 0.312 . . . . 72.140000000000001 110.857 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -77.8 154.64 80.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.556 0.693 . . . . 75.510000000000005 110.866 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -47.93 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.685 2.256 . . . . 75.150000000000006 112.371 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.65 -27.09 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 74.099999999999994 111.052 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.34 -45.29 8.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 111.182 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.97 -36.98 65.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 72.420000000000002 111.166 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 t -63.62 -16.46 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 111.146 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.1 mtm -107.7 18.92 20.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.857 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 63.99 -83.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 74.129999999999995 110.829 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -148.45 15.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 73.530000000000001 110.913 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.19 -30.83 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 75.439999999999998 111.225 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.87 -52.08 11.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 73.030000000000001 111.095 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.32 -20.74 37.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 63.420000000000002 112.55 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -72.44 -54.96 7.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.778 0.323 . . . . 65.219999999999999 110.847 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mt -74.14 -32.32 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 111.095 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.31 -33.54 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 111.095 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.63 83.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 75.5 111.061 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.64 -31.92 27.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.140000000000001 111.155 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.24 -60.56 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 71.150000000000006 110.969 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -61.49 -34.34 75.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 75.010000000000005 110.924 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.77 90.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.0 111.055 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.25 -45.71 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 74.349999999999994 111.158 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -53.17 -46.86 69.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 110.924 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -77.26 -32.37 55.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 110.903 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.83 -37.61 44.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.420000000000002 111.123 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.1 t -70.78 -28.78 64.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 72.329999999999998 110.843 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -74.87 -45.63 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.450000000000003 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.6 mp -76.58 -4.72 44.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.965 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.9 19.27 73.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.69 -0.766 . . . . 75.450000000000003 112.567 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 m -110.27 157.87 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 71.400000000000006 111.133 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.92 -169.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.852 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -145.07 -179.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.200000000000003 111.145 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.87 126.33 21.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 70.140000000000001 110.872 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.9 pt -121.59 -175.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 72.040000000000006 111.185 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 tp 50.85 -167.15 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 110.832 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -50.31 103.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 75.450000000000003 110.907 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -95.74 126.61 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 74.549999999999997 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.19 -11.12 60.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.982 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.5 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 74.230000000000004 111.074 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.94 -20.76 72.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 74.019999999999996 112.517 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 mm -58.71 -20.44 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 75.549999999999997 111.177 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.14 73.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 111.165 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -71.92 -39.44 69.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.48 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 2.4 t90 -78.15 -39.11 42.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 110.889 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.39 -29.66 16.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 70.319999999999993 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.8 p -68.81 -42.49 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 74.329999999999998 111.086 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.42 86.76 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.741 -0.742 . . . . 75.239999999999995 112.442 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.19 -62.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.519999999999996 110.904 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -95.14 159.3 15.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 74.209999999999994 110.928 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -66.59 86.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 73.530000000000001 110.942 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.69 0.57 33.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 75.120000000000005 111.08 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -48.3 -27.32 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 71.439999999999998 110.848 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -50.62 -29.47 11.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.239999999999995 110.87 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -83.27 -169.82 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.865 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -99.51 -10.73 21.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 64.25 110.918 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.401 ' HB ' ' HA ' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -53.2 -26.91 19.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.439999999999998 111.095 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -52.46 30.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 74.510000000000005 110.873 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.4 -42.56 64.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 73.400000000000006 111.101 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -52.74 -36.18 57.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 73.030000000000001 110.96 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.05 -28.36 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 75.340000000000003 111.117 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -74.89 -42.33 58.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 110.858 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 56.6 mt -54.71 -22.24 13.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 64.299999999999997 110.896 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 ttp -51.31 -66.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 75.319999999999993 110.903 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -56.94 -29.52 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 75.329999999999998 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -48.19 62.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 74.519999999999996 110.934 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -127.07 36.31 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 64.200000000000003 110.926 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.09 163.57 27.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 75.150000000000006 110.904 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.47 -55.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.814 -0.708 . . . . 62.409999999999997 112.418 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -31.31 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 75.120000000000005 111.122 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -126.33 177.94 6.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.458 . . . . 74.140000000000001 110.946 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.8 148.62 28.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 72.230000000000004 110.899 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -159.12 164.53 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 65.319999999999993 110.88 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.7 -176.16 6.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.95 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -50.67 161.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 72.430000000000007 110.928 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.7 126.18 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 111.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.88 -78.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.982 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.48 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 175.82 165.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 62.200000000000003 111.093 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 54.23 -166.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 74.019999999999996 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m 67.72 128.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 70.209999999999994 110.811 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.07 99.58 0.82 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.767 -0.73 . . . . 61.509999999999998 112.56 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.72 -68.35 0.61 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.74 0.305 . . . . 74.340000000000003 110.917 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -102.02 -33.91 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.439999999999998 110.935 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -51.26 -31.3 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 72.319999999999993 110.86 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -42.49 42.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -24.31 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 55.350000000000001 110.854 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -51.66 -30.82 23.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.834 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 m -56.0 -24.2 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 53.340000000000003 111.126 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -60.68 -49.6 76.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 73.129999999999995 110.82 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -44.82 62.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 74.010000000000005 110.86 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.51 80.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.819 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.74 -34.22 64.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 70.200000000000003 111.109 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -52.38 -40.0 61.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 73.010000000000005 110.999 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.3 m -57.57 -32.31 67.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 73.019999999999996 110.841 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -53.28 -42.08 66.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.150000000000006 111.134 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.95 -60.87 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 72.120000000000005 110.952 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 142.39 39.16 0.07 OUTLIER Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.683 -0.77 . . . . 61.340000000000003 112.396 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.5 mm -71.35 151.32 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 74.420000000000002 111.124 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -169.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 74.239999999999995 110.911 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.26 -169.74 0.15 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 75.230000000000004 110.88 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tt 63.33 104.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 62.420000000000002 110.961 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -167.69 -170.14 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 74.340000000000003 110.826 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.58 165.9 22.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 75.450000000000003 110.896 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -161.41 179.33 8.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.129999999999995 110.789 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -175.35 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.420000000000002 110.891 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -127.62 -74.64 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 74.409999999999997 110.883 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -168.5 -178.82 3.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 75.200000000000003 110.921 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.769 0.319 . . . . 63.210000000000001 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.5 -174.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 74.540000000000006 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -135.33 -169.09 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.239999999999995 110.856 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -159.28 29.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.937 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 p -53.74 156.1 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 74.299999999999997 111.163 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -53.23 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.857 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -155.27 -76.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 74.409999999999997 110.904 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -85.78 155.6 20.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 64.040000000000006 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.11 143.14 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.530000000000001 111.104 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -69.77 80.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 74.439999999999998 110.906 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.2 p -113.84 179.11 4.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 74.310000000000002 111.173 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.19 -169.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 70.400000000000006 110.849 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.3 68.67 1.46 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.749 -0.739 . . . . 54.32 112.499 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -160.94 137.93 8.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.903 0.382 . . . . 74.510000000000005 110.875 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -179.23 165.55 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 73.209999999999994 110.857 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 p -136.16 115.41 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 72.439999999999998 111.118 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 70.38 -70.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 70.010000000000005 110.934 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.12 23.01 0.21 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.712 -0.756 . . . . 74.209999999999994 112.446 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -175.76 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 75.409999999999997 110.936 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -110.3 134.65 52.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 65.329999999999998 110.907 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.45 173.04 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 75.510000000000005 111.028 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -148.8 130.73 15.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 71.120000000000005 110.853 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.79 169.48 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 111.113 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.84 168.0 26.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.965 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.3 123.41 50.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 72.140000000000001 111.13 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -109.39 136.81 48.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 74.140000000000001 110.9 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -143.86 129.33 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 72.549999999999997 111.135 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -124.6 136.02 53.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 73.420000000000002 110.952 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 66.88 12.84 9.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 75.140000000000001 110.865 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.89 23.98 33.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 42.100000000000001 112.425 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.44 159.33 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 72.219999999999999 110.916 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.32 122.37 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 75.329999999999998 111.129 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -107.64 -47.34 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.450000000000003 110.836 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -130.24 175.12 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 110.897 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -175.85 104.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 75.439999999999998 110.878 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.88 162.46 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 74.510000000000005 110.824 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.59 170.34 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 72.019999999999996 111.059 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.43 158.86 44.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 64.430000000000007 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -116.89 168.38 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.019999999999996 111.139 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.66 -156.22 16.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 64.109999999999999 112.425 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.78 33.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 74.209999999999994 110.881 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -94.61 154.32 40.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.586 0.708 . . . . 75.030000000000001 110.841 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -48.63 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.635 2.223 . . . . 74.319999999999993 112.326 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.92 -15.96 63.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 70.219999999999999 111.075 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.54 -23.06 15.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 111.185 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.54 -31.63 22.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.129999999999995 111.087 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.8 t -71.8 -18.19 62.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 111.143 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.2 mmt -89.35 9.74 25.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 71.420000000000002 110.899 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.0 mtm-85 70.01 -72.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 75.349999999999994 110.918 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -161.33 21.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 64.519999999999996 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 t -74.51 -42.87 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 72.010000000000005 111.152 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.65 -26.87 58.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 74.540000000000006 111.142 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.98 -51.74 17.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 54.439999999999998 112.483 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -53.16 -48.01 68.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 74.109999999999999 110.878 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.41 -31.19 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 70.549999999999997 111.162 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.06 -44.73 21.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 55.43 111.079 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.1 -51.2 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 74.409999999999997 111.125 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.3 -29.24 22.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 71.040000000000006 111.13 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.4 -67.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 73.040000000000006 110.961 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -59.29 -22.22 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 72.340000000000003 110.858 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.42 84.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.25 111.091 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -76.05 -43.28 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 74.439999999999998 111.125 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -51.64 -49.69 61.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 74.420000000000002 110.85 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -76.9 -31.13 56.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 74.319999999999993 110.856 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.29 -33.38 41.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 53.200000000000003 111.142 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.3 t -75.57 -28.59 59.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 64.109999999999999 110.887 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -71.25 -41.87 69.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.209999999999994 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mp -78.46 -2.27 37.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 74.019999999999996 110.927 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.94 59.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 74.219999999999999 112.497 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 m -100.78 174.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 75.239999999999995 111.151 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 149.29 45.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 65.340000000000003 110.974 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 pt -100.06 131.52 47.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 74.129999999999995 111.071 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.37 156.12 20.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 74.200000000000003 110.863 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 tt -142.07 -47.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 75.319999999999993 111.112 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.5 mt 51.1 -92.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 110.943 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -102.67 -63.36 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 75.120000000000005 110.865 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t0 57.87 172.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 110.821 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.83 17.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.120000000000005 110.899 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.9 164.39 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 64.439999999999998 111.088 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.8 -19.16 35.09 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.856 -0.688 . . . . 74.310000000000002 112.457 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.456 ' HA ' ' CZ3' ' A' ' 84' ' ' TRP . 4.6 mp -68.89 -46.19 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 74.25 111.097 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.11 -5.97 42.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.200000000000003 111.15 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -81.57 -59.27 2.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.319999999999993 110.833 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.468 ' O ' ' CD1' ' A' ' 84' ' ' TRP . 0.0 OUTLIER -84.97 -10.81 56.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 72.209999999999994 110.9 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 115' ' ' VAL . . . -48.58 -29.19 4.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 71.450000000000003 111.091 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.7 p -64.56 -41.29 96.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 55.140000000000001 111.124 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.69 62.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 42.43 112.539 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -51.42 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 75.340000000000003 110.913 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -79.9 158.72 26.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 72.510000000000005 110.933 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -50.5 123.96 9.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.150000000000006 110.929 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.4 -3.69 41.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 111.108 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -91.12 1.88 56.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 72.519999999999996 110.822 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -98.34 143.5 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 73.409999999999997 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 61.63 166.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 70.439999999999998 110.919 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -90.22 11.56 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 72.540000000000006 110.925 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -27.04 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.150000000000006 111.17 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.84 -41.63 45.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.06 -35.19 15.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.109999999999999 111.02 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -53.86 -51.35 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 75.150000000000006 110.926 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.64 -30.89 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.120000000000005 111.147 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -74.54 -53.01 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 63.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt -58.94 -27.41 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.510000000000005 110.894 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.7 ttp -51.95 -67.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 72.140000000000001 110.798 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.85 -30.03 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.319999999999993 110.903 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -46.33 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.329999999999998 110.839 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -130.92 35.74 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.945 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -83.35 128.41 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 75.099999999999994 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.76 -21.02 0.38 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 72.319999999999993 112.455 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -33.23 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 71.530000000000001 111.189 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.54 177.2 4.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 75.409999999999997 110.93 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.76 147.95 52.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 71.120000000000005 110.881 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.74 140.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 71.450000000000003 110.874 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -75.21 169.16 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.040000000000006 110.85 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -51.53 165.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 75.5 110.876 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -153.13 129.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.409999999999997 111.139 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.435 ' N ' ' HE1' ' A' ' 84' ' ' TRP . 6.7 mttm -90.65 -81.56 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.501 . . . . 74.409999999999997 110.962 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 172.43 176.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.530000000000001 111.122 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 64.36 -169.98 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 74.430000000000007 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.22 -174.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 71.129999999999995 110.892 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.19 118.24 2.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 42.539999999999999 112.431 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -138.29 -158.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 74.010000000000005 110.908 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.14 -1.31 11.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 73.530000000000001 110.923 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 126' ' ' TYR . 0.6 OUTLIER -50.07 -30.17 10.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 71.450000000000003 110.914 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -66.91 -39.08 87.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 73.019999999999996 110.828 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -24.28 14.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 55.350000000000001 110.893 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 123' ' ' PHE . 4.0 t80 -51.59 -39.07 57.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 72.349999999999994 110.943 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 28.8 m -55.38 -24.73 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 75.439999999999998 111.187 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.18 -52.8 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 63.229999999999997 110.88 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 9.4 ttp -72.19 -40.12 68.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.219999999999999 110.892 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -38.75 87.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 73.549999999999997 110.915 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.17 65.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 72.400000000000006 111.031 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -52.37 -40.48 62.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 74.219999999999999 110.886 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -32.45 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.833 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.49 -27.82 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.439999999999998 111.087 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.01 -38.31 11.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 74.099999999999994 110.933 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 115.28 36.6 1.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 75.439999999999998 112.46 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.5 mm -68.01 130.85 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 72.329999999999998 111.123 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -175.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 75.140000000000001 110.938 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.81 158.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 110.867 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.17 152.56 37.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.299999999999997 110.911 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -133.11 171.8 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 73.120000000000005 110.867 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -168.63 137.68 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 72.120000000000005 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -132.57 163.14 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 71.140000000000001 110.867 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -167.14 158.96 12.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 110.778 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.97 140.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 75.519999999999996 110.873 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 161.96 37.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 73.209999999999994 110.863 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 73.439999999999998 110.811 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 mtp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.779 0.323 . . . . 75.140000000000001 110.832 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -178.59 177.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 65.140000000000001 110.857 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -148.98 160.53 43.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.239999999999995 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -100.72 82.59 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.847 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -128.12 137.47 52.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 111.089 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -68.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 64.120000000000005 110.862 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -162.7 -79.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.876 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.79 158.12 36.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 65.209999999999994 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.5 t -105.35 146.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.142 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -69.0 79.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.209999999999994 110.942 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -135.69 157.58 46.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 74.120000000000005 111.133 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.15 88.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 75.129999999999995 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.93 79.85 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.733 . . . . 74.140000000000001 112.529 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.04 135.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 64.5 110.878 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -170.63 154.85 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 74.0 110.955 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.69 122.5 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 74.120000000000005 111.138 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t30 62.61 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 71.239999999999995 110.883 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.59 19.66 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 50.539999999999999 112.469 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -175.83 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 74.519999999999996 110.944 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -136.77 134.88 37.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 73.129999999999995 110.897 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.27 161.32 38.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 64.329999999999998 111.105 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -134.12 130.8 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 75.030000000000001 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.89 160.62 36.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.219999999999999 111.084 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -161.32 150.72 16.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 73.519999999999996 110.971 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.54 122.0 33.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 65.230000000000004 111.095 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -109.87 113.65 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 75.319999999999993 110.928 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.7 t -126.89 133.02 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 54.119999999999997 111.101 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -132.18 138.69 48.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.329999999999998 110.959 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 67.03 12.57 9.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 64.519999999999996 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.14 22.59 37.64 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.728 -0.749 . . . . 74.120000000000005 112.524 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -149.56 157.64 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 73.230000000000004 110.885 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.13 116.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 111.176 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -93.79 -42.2 9.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 70.120000000000005 110.828 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -131.52 168.83 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 64.420000000000002 110.943 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.64 90.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 74.540000000000006 110.833 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.18 108.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.540000000000006 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.03 -178.43 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 74.310000000000002 111.056 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -154.47 130.84 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.310000000000002 110.831 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.5 t -102.08 155.25 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.340000000000003 111.134 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.02 170.33 13.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 70.420000000000002 112.438 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.98 28.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 73.540000000000006 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -74.41 156.0 87.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 65.409999999999997 110.864 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.65 -48.58 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 71.230000000000004 112.428 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.07 -23.56 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.409999999999997 111.092 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.22 -59.33 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.03 -34.05 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 74.140000000000001 111.147 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -62.63 -32.23 73.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.219999999999999 111.125 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 78.9 mmm -95.15 19.57 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 72.340000000000003 110.897 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 63.1 -167.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 110.938 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -70.46 -8.78 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 71.200000000000003 110.85 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.2 t -51.91 -42.38 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 65.129999999999995 111.116 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.69 -21.31 57.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 65.200000000000003 111.14 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.4 -51.61 7.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 44.340000000000003 112.45 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.4 -49.98 63.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 75.409999999999997 110.973 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mt -65.23 -31.08 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 73.140000000000001 111.18 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.56 -46.26 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 70.200000000000003 111.148 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.57 -53.11 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.109999999999999 111.128 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.44 -29.36 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.310000000000002 111.066 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.42 -67.57 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 62.210000000000001 110.983 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -58.23 -23.33 55.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.74 97.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 71.409999999999997 111.05 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.5 t -76.35 -43.42 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 72.420000000000002 111.14 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -51.68 -50.04 61.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 74.239999999999995 110.905 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -32.57 58.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.329999999999998 110.949 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.9 -41.83 58.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 75.230000000000004 111.062 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.8 t -65.37 -28.5 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 70.030000000000001 110.858 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -75.88 -44.89 38.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 64.239999999999995 110.967 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mp -78.43 -6.64 55.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 74.310000000000002 110.935 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.56 33.06 40.19 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.78 -0.724 . . . . 64.439999999999998 112.436 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.2 m -107.62 -32.61 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 74.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.52 -175.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.420000000000002 110.888 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 pt -133.27 134.23 57.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 72.450000000000003 111.195 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.12 100.61 5.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.884 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.6 mt -144.25 34.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 73.439999999999998 111.12 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.82 -58.86 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.340000000000003 110.909 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 16.93 10.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.530000000000001 110.849 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.04 125.27 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 110.918 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -92.87 39.94 1.05 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 73.230000000000004 110.95 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.6 -173.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 70.510000000000005 111.181 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.99 -46.79 68.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 74.129999999999995 112.475 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.39 -41.2 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 74.109999999999999 111.123 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.27 -5.95 47.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 52.539999999999999 111.133 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -57.12 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.299999999999997 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.44 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.55 -17.21 45.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 71.450000000000003 110.948 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.31 -23.1 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 74.310000000000002 111.143 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.7 p -63.76 -15.79 59.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.400000000000006 111.103 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.36 75.15 1.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 51.219999999999999 112.488 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.26 -42.33 6.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 64.310000000000002 110.853 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.57 158.55 24.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.44 . . . . 74.519999999999996 110.895 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -57.11 154.49 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.894 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.3 -19.54 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 111.049 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -7.36 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 75.519999999999996 110.93 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -67.48 111.69 4.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.439999999999998 110.873 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.47 -173.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 75.230000000000004 110.87 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -91.03 11.07 24.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 72.450000000000003 110.888 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -27.64 26.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 111.128 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -47.28 48.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 64.510000000000005 110.879 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.74 -36.28 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 73.310000000000002 111.12 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -53.76 -54.37 39.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 110.916 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.93 -30.88 62.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 72.519999999999996 111.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -75.53 -51.31 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 110.944 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.31 -17.68 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 71.439999999999998 110.903 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -66.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 110.899 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -54.49 -29.22 49.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 63.32 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -49.03 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 71.439999999999998 110.93 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -128.46 35.7 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.901 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -84.3 128.69 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 110.831 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.35 -20.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 63.130000000000003 112.534 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -33.62 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 75.319999999999993 111.167 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -109.68 177.37 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.61 150.67 51.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 73.439999999999998 110.864 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -175.87 147.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 71.219999999999999 110.806 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.6 -170.58 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.430000000000007 110.883 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -71.83 130.76 41.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.120000000000005 110.92 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.72 126.38 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 71.150000000000006 111.147 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -100.31 -82.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.510000000000005 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.44 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -179.97 115.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 74.420000000000002 111.1 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -179.36 142.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.319999999999993 110.88 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.62 -168.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 75.140000000000001 110.912 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -161.24 -144.22 3.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 74.5 112.525 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.8 -76.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 73.439999999999998 110.951 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.09 11.19 25.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 73.340000000000003 110.93 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -48.85 -45.55 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 72.019999999999996 110.826 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -76.86 -23.85 52.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.843 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -71.67 -22.38 61.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 72.319999999999993 110.867 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.15 -45.22 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 110.945 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.03 -23.13 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 75.129999999999995 111.166 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.45 -47.12 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.409999999999997 110.84 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 20.2 ttp -72.85 -37.01 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 74.519999999999996 110.895 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -56.1 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.109999999999999 110.873 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.39 -33.49 53.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.239999999999995 111.125 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -51.62 -32.95 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.409999999999997 110.883 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.1 m -67.26 -37.09 82.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.815 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -53.18 -41.27 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 74.099999999999994 111.107 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.73 -44.4 42.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 110.904 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.82 42.1 1.48 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.721 . . . . 73.430000000000007 112.535 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.1 mm -67.83 151.27 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 62.140000000000001 111.122 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -174.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.129999999999995 110.909 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.35 156.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 71.019999999999996 110.897 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.9 83.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 74.420000000000002 110.887 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.07 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.5 110.861 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.34 105.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 62.149999999999999 110.84 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -175.57 149.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.400000000000006 110.871 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -176.71 145.95 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 110.841 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -175.33 167.88 3.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 71.450000000000003 110.858 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -174.16 108.35 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 75.140000000000001 110.872 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.88 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.821 0.343 . . . . 74.140000000000001 110.841 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.06 175.5 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 71.230000000000004 110.865 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -137.95 -175.02 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.109999999999999 110.802 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -81.83 111.01 17.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.092 -0.503 . . . . 75.019999999999996 110.825 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 p -152.57 -83.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.219999999999999 111.175 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.27 63.36 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 75.219999999999999 110.92 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -178.7 152.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 73.219999999999999 110.938 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.51 154.22 21.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 64.439999999999998 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 81.8 t -90.05 145.32 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 74.219999999999999 111.103 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.32 78.84 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 74.200000000000003 110.937 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -138.23 172.95 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 75.430000000000007 111.148 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.81 100.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 74.040000000000006 110.822 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.68 91.0 0.47 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 64.219999999999999 112.437 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.27 133.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 75.200000000000003 110.875 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -179.19 142.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 110.964 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.67 122.92 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 62.25 111.181 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t30 62.56 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 71.329999999999998 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.6 18.17 1.0 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 73.450000000000003 112.515 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.55 175.23 5.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.84 0.352 . . . . 73.120000000000005 110.865 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -134.81 134.62 41.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.120000000000005 110.847 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.46 165.66 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 74.420000000000002 111.067 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.0 p90 -144.43 130.7 19.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 75.430000000000007 110.913 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.8 169.21 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.200000000000003 111.145 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.81 158.15 25.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.540000000000006 110.879 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.56 127.99 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 62.219999999999999 111.093 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -109.11 139.9 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 65.530000000000001 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 t -142.27 132.26 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.140000000000001 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -128.94 133.58 47.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.530000000000001 110.939 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.32 12.52 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 72.209999999999994 110.805 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.81 26.33 24.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.701 -0.761 . . . . 54.119999999999997 112.442 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -149.75 164.82 34.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 74.019999999999996 110.891 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.16 122.54 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 111.151 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -107.55 -45.96 3.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 75.030000000000001 110.869 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -130.24 179.74 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.010000000000005 110.945 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -179.3 100.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.879 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.69 177.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 62.520000000000003 110.826 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.81 -170.19 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 65.439999999999998 111.043 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -155.1 140.73 17.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 110.807 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -102.2 155.48 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 111.137 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.58 -170.09 14.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 72.310000000000002 112.5 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.86 31.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 75.219999999999999 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.31 155.52 66.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.633 0.73 . . . . 74.409999999999997 110.897 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.652 2.234 . . . . 63.149999999999999 112.371 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.59 -24.9 65.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.239999999999995 111.11 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.98 -34.59 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 72.120000000000005 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.6 -25.69 57.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 111.086 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -74.17 -7.49 52.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.212 -0.449 . . . . 74.049999999999997 111.113 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.87 22.55 13.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 74.439999999999998 110.92 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 64.16 -81.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.319999999999993 110.834 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -154.49 20.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.129999999999995 110.84 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.6 t -73.01 -38.94 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 111.116 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.16 -27.25 56.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 63.130000000000003 111.092 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.94 -49.73 15.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 72.310000000000002 112.484 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.28 -48.62 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 72.430000000000007 110.904 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mt -74.55 -31.34 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.5 111.075 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.6 -31.87 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 63.420000000000002 111.132 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.69 -53.37 58.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 53.439999999999998 111.108 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -39.67 61.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 111.149 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.31 -66.99 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 73.010000000000005 110.916 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -66.07 -23.33 66.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.465 . . . . 74.409999999999997 110.94 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.45 89.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 73.219999999999999 111.128 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.9 t -76.27 -45.49 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 72.239999999999995 111.094 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -51.67 -48.07 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 71.340000000000003 110.891 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -30.28 63.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 75.099999999999994 110.899 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.58 -34.02 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 73.019999999999996 111.114 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -73.14 -30.16 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 45.32 110.806 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.29 -37.9 78.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.209999999999994 110.888 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.98 -10.84 37.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.933 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 55.28 32.63 57.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 63.240000000000002 112.463 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 m -105.84 -29.93 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.942 0.401 . . . . 73.099999999999994 111.178 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.6 -169.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 64.540000000000006 110.859 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.5 pt -139.69 173.11 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.540000000000006 111.147 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -55.53 136.78 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 110.914 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.34 178.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 73.209999999999994 111.162 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 68.76 -75.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 110.87 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.85 23.46 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.821 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -97.23 47.45 1.03 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.305 -0.407 . . . . 73.450000000000003 110.912 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -50.73 -56.99 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.200000000000003 110.991 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 51.93 -168.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 71.230000000000004 111.094 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.32 -25.61 73.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.805 -0.712 . . . . 72.230000000000004 112.506 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.96 -46.12 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 74.219999999999999 111.178 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.29 -8.75 52.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 111.113 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.31 -57.1 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.120000000000005 110.872 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -16.57 47.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.430000000000007 110.956 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -16.39 46.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.040000000000006 111.063 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.8 p -63.9 -15.59 59.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 111.079 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.37 86.76 1.2 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.786 -0.721 . . . . 53.340000000000003 112.482 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -100.0 -62.66 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 72.329999999999998 110.842 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -175.18 122.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 75.349999999999994 110.973 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 88.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 74.430000000000007 110.869 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.61 -49.12 15.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.420000000000002 111.104 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -34.2 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 65.409999999999997 110.919 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.9 p30 41.86 39.19 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 72.25 110.882 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -161.75 -74.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 71.129999999999995 110.831 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -51.64 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 61.240000000000002 110.865 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -42.21 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.119999999999997 111.168 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -47.32 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.310000000000002 110.931 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.27 -33.51 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 75.129999999999995 111.047 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -53.43 -54.62 34.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 73.200000000000003 110.972 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.05 62.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 75.010000000000005 111.113 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -74.55 -47.01 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 70.439999999999998 110.861 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.62 -16.89 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 110.909 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.0 ttp -57.36 -66.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.049999999999997 110.862 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -52.09 -31.83 32.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 70.129999999999995 110.816 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -48.82 67.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 72.140000000000001 110.963 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -116.79 28.89 8.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 71.140000000000001 110.913 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -83.19 125.22 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 73.439999999999998 110.864 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.45 -20.98 0.4 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.74 . . . . 75.340000000000003 112.524 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.21 -34.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 73.120000000000005 111.076 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -122.21 178.31 4.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.931 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.53 148.27 32.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 52.439999999999998 110.843 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.3 171.92 19.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.510000000000005 110.958 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.73 -170.0 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 110.866 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -94.49 117.08 29.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 74.239999999999995 110.913 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.1 m -104.32 139.76 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 71.109999999999999 111.126 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.5 -78.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 73.540000000000006 110.891 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 176.97 101.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 74.450000000000003 111.056 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -176.66 170.67 2.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.899 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 -169.41 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 65.239999999999995 110.817 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.04 -143.95 3.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 74.349999999999994 112.49 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -77.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 74.340000000000003 110.881 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -110.39 11.73 23.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.439999999999998 110.928 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -48.16 -44.89 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.510000000000005 110.873 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -74.63 -40.16 61.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 74.549999999999997 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.41 -24.77 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 110.899 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.7 -38.07 60.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 71.319999999999993 110.886 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 20.9 m -56.04 -21.56 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 64.400000000000006 111.053 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.83 -48.99 74.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 71.439999999999998 110.919 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 6.7 ttp -68.87 -44.81 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.409999999999997 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -53.29 57.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.450000000000003 110.904 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.34 -33.63 54.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 45.509999999999998 111.071 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -52.26 -32.15 35.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.446 . . . . 72.030000000000001 110.845 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.7 p -75.6 -31.49 59.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 72.129999999999995 110.864 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.09 -42.87 73.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 65.150000000000006 111.064 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.87 -48.97 62.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 74.349999999999994 110.895 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 124.06 30.14 1.05 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.768 -0.73 . . . . 64.140000000000001 112.48 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 27.8 mm -52.36 143.39 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 75.239999999999995 111.184 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 157.94 17.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 75.349999999999994 110.952 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.17 -169.85 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 74.109999999999999 110.858 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.79 87.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.519999999999996 110.925 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.1 -179.35 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 73.200000000000003 110.82 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -163.5 174.04 12.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 70.420000000000002 110.872 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -163.57 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 75.010000000000005 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 62.82 165.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 72.5 110.843 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.91 -170.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 72.109999999999999 110.841 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -138.52 -73.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 72.109999999999999 110.905 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 72.299999999999997 110.811 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ttt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.758 0.314 . . . . 74.420000000000002 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -75.77 -178.32 4.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 73.420000000000002 110.865 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -136.81 -169.35 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.430000000000007 110.842 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -157.53 23.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 75.510000000000005 110.911 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -88.59 148.36 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.019999999999996 111.125 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -145.11 21.89 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 65.420000000000002 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -121.47 157.11 31.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.349999999999994 110.905 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.63 151.05 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 70.049999999999997 110.863 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -91.23 142.49 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 111.116 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -69.71 80.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.974 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 p -131.46 177.79 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 73.120000000000005 111.132 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.54 106.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.510000000000005 110.847 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.87 -150.6 19.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 72.230000000000004 112.495 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p 64.36 156.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 73.549999999999997 110.868 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -176.69 166.27 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.945 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 p -141.87 113.46 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 71.340000000000003 111.095 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 69.55 -72.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 74.310000000000002 110.886 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.44 25.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.728 . . . . 64.040000000000006 112.484 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.67 -175.79 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 70.230000000000004 110.908 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -105.37 135.72 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 72.519999999999996 110.911 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.53 164.17 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 75.329999999999998 111.092 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -144.26 130.39 19.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 75.510000000000005 110.927 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.01 175.11 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 74.239999999999995 111.136 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.97 170.94 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 75.329999999999998 110.845 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.91 125.42 54.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 62.119999999999997 111.095 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -110.97 140.06 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.439999999999998 110.863 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -144.89 128.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.120000000000005 111.126 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -124.91 134.53 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.519999999999996 110.899 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t0 67.1 12.5 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 61.549999999999997 110.889 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.41 26.39 25.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 44.0 112.541 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.64 162.78 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 75.310000000000002 110.861 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.45 119.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 71.019999999999996 111.074 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -107.68 -50.61 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.858 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -130.22 166.43 20.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 73.209999999999994 110.896 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -179.34 108.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.319999999999993 110.878 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.61 135.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.349999999999994 110.854 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.37 176.66 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 111.174 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -159.37 145.18 16.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 74.540000000000006 110.842 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 m -110.17 175.03 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 65.310000000000002 111.141 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.59 -157.01 9.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 73.299999999999997 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.6 52.03 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.767 0.317 . . . . 70.319999999999993 110.959 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -113.14 157.14 41.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 63.409999999999997 110.877 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -48.35 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.745 2.297 . . . . 75.219999999999999 112.288 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.49 67.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 74.209999999999994 111.101 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.37 12.93 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.150000000000006 111.106 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.33 19.17 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 62.039999999999999 111.133 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -126.48 11.89 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 63.32 111.14 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.43 22.89 7.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 73.010000000000005 110.845 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 72.12 -73.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 75.25 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -172.34 23.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 65.120000000000005 110.845 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -76.09 -33.63 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.209999999999994 111.191 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.27 -53.42 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 73.129999999999995 111.088 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.18 -26.26 42.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 72.150000000000006 112.476 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -69.39 -54.75 12.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 75.430000000000007 110.899 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.9 mt -69.67 -30.56 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 75.439999999999998 111.133 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.47 -44.64 17.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 73.019999999999996 111.072 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.36 -50.25 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.105 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.33 -32.89 40.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 73.040000000000006 111.115 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mt -67.9 -67.13 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -56.93 -24.36 51.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.872 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.81 -40.54 88.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 64.420000000000002 111.051 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.6 t -76.26 -40.69 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 73.329999999999998 111.085 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -51.42 -48.0 62.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 75.109999999999999 110.867 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -72.96 -29.26 62.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.439999999999998 110.906 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.18 -32.53 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.230000000000004 111.095 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.4 t -75.94 -28.0 57.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.310000000000002 110.908 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -40.54 63.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 74.129999999999995 110.883 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.93 -6.81 59.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 73.519999999999996 110.904 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.39 20.49 69.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 64.239999999999995 112.477 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 m -110.9 -171.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 75.200000000000003 111.105 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.08 168.17 20.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.875 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.5 pt -120.48 179.65 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.530000000000001 111.125 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.22 101.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 72.540000000000006 110.879 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.4 pt -95.73 -172.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 61.399999999999999 111.099 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.39 -169.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.909 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.42 100.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 74.340000000000003 110.857 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -89.38 147.7 23.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 70.340000000000003 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -79.46 -1.99 39.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 110.952 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.45 -168.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 71.519999999999996 111.084 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.42 -1.8 68.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 62.039999999999999 112.512 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.09 -38.33 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 62.399999999999999 111.117 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.34 -5.57 45.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.5 111.102 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -57.51 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.200000000000003 110.853 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.439 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.58 -13.79 55.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 74.319999999999993 110.918 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.14 -26.53 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 73.049999999999997 111.091 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.1 p -63.92 -41.14 97.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.319999999999993 111.136 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.39 98.57 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 50.039999999999999 112.5 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -100.11 -62.39 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 71.25 110.939 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -98.87 160.14 14.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 74.409999999999997 110.932 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -64.6 87.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 74.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.01 1.65 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 61.229999999999997 111.06 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -44.71 -32.43 1.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 75.129999999999995 110.832 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -77.46 59.2 1.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 64.439999999999998 110.883 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.68 -168.72 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.430000000000007 110.922 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.77 -13.95 11.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.099999999999994 110.848 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.14 -27.96 23.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 111.162 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -47.12 49.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.040000000000006 110.942 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.58 -33.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 73.439999999999998 111.102 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -53.47 -54.52 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.430000000000007 110.97 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.21 -29.51 58.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 74.040000000000006 111.097 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -74.54 -52.23 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.882 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.9 -33.22 71.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 73.439999999999998 110.87 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.75 -67.36 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 75.299999999999997 110.844 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -53.47 -31.16 44.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.349999999999994 110.901 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -41.19 62.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 110.968 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.1 39.21 2.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 74.409999999999997 110.935 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.75 7.57 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 73.099999999999994 110.869 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.61 -6.01 61.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 71.109999999999999 112.507 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -40.66 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.384 . . . . 74.430000000000007 111.13 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -121.5 177.71 5.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 75.239999999999995 110.885 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.98 154.04 39.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 73.409999999999997 110.835 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -163.43 138.04 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.71 159.7 0.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 71.200000000000003 110.89 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -51.67 132.71 31.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.400000000000006 110.966 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.7 92.64 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 73.150000000000006 111.149 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -76.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 73.120000000000005 110.92 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.439 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 179.0 164.36 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 72.409999999999997 111.092 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -163.29 -169.25 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.530000000000001 110.893 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.7 m -110.36 -74.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 61.119999999999997 110.883 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -166.61 165.36 38.33 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.702 -0.761 . . . . 55.109999999999999 112.518 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -179.7 -179.4 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 74.349999999999994 110.935 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -101.91 2.36 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.049999999999997 110.851 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -55.61 -29.74 59.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.894 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -71.25 -38.41 71.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.340000000000003 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -25.93 18.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 54.020000000000003 110.802 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.66 -34.33 51.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 75.129999999999995 110.91 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 29.3 m -55.23 -23.89 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 75.409999999999997 111.102 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -60.95 -50.5 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 63.420000000000002 110.872 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.1 ttp -69.9 -49.56 50.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -50.77 68.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 75.510000000000005 110.892 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.35 -38.37 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.109999999999999 111.095 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -32.4 40.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.209999999999994 110.895 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.7 m -74.32 -36.26 63.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 63.119999999999997 110.876 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.22 -33.67 59.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.209999999999994 111.131 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.55 -24.86 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.049999999999997 110.851 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 99.6 20.71 16.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 63.030000000000001 112.474 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 11.5 mt -90.84 139.51 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 71.519999999999996 111.119 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 164.71 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 73.510000000000005 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.12 175.95 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.150000000000006 110.913 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.36 -75.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 110.893 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 50.89 91.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 75.040000000000006 110.88 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -96.92 84.11 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 74.430000000000007 110.823 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -152.18 -172.9 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 75.319999999999993 110.887 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.33 160.54 29.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 72.109999999999999 110.835 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.9 -172.29 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.439999999999998 110.871 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -162.86 -73.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.230000000000004 110.893 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.85 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ptm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.765 0.317 . . . . 74.409999999999997 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -168.3 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 70.430000000000007 110.843 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 179.46 152.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 71.219999999999999 110.851 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -138.89 27.69 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 74.430000000000007 110.848 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -79.62 168.75 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 73.040000000000006 111.135 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 178.46 35.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 75.439999999999998 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -135.08 -108.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.905 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -152.13 156.66 40.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 71.129999999999995 110.845 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.41 142.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.239999999999995 111.132 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -71.1 78.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.120000000000005 110.958 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 p -136.16 158.45 44.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 72.540000000000006 111.163 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 65.26 76.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 71.439999999999998 110.847 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.76 88.23 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.752 -0.737 . . . . 61.240000000000002 112.458 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.58 158.69 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 73.329999999999998 110.887 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -179.4 156.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.844 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 p -141.73 112.24 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 74.120000000000005 111.14 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 69.69 -71.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.25 110.858 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.32 25.15 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 74.530000000000001 112.516 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.57 -175.61 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.797 0.332 . . . . 75.329999999999998 110.891 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -110.85 134.44 52.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 64.230000000000004 110.891 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.31 172.41 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 73.239999999999995 111.076 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -150.35 130.58 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.907 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.69 163.17 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 70.319999999999993 111.095 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -162.04 145.19 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 63.530000000000001 110.9 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.18 107.19 19.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 71.340000000000003 111.052 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -92.53 137.8 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 75.420000000000002 110.929 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.7 t -148.98 109.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.430000000000007 111.172 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.12 142.66 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 73.319999999999993 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t0 70.72 9.73 6.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 73.219999999999999 110.907 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.36 22.19 45.3 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.676 -0.773 . . . . 72.5 112.496 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -149.5 157.46 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 73.299999999999997 110.912 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.24 129.9 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 74.030000000000001 111.119 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -107.85 -59.48 1.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 63.530000000000001 110.884 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.8 166.65 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 73.329999999999998 110.862 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.14 99.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 75.209999999999994 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.48 -75.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.109999999999999 110.895 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 64.26 109.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 64.450000000000003 111.127 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -146.99 -174.64 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.865 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.17 174.4 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 65.409999999999997 111.157 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.95 169.68 19.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.662 -0.78 . . . . 53.030000000000001 112.438 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -132.61 5.11 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 74.239999999999995 110.916 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -61.5 150.56 80.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.729 . . . . 63.420000000000002 110.868 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -48.84 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.6 2.2 . . . . 74.420000000000002 112.309 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.38 16.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 73.430000000000007 111.057 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.31 -20.2 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.239999999999995 111.08 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.94 16.0 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.230000000000004 111.149 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -123.35 -0.87 8.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 72.329999999999998 111.148 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.24 26.6 8.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.439999999999998 110.925 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 64.01 -83.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.200000000000003 110.766 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -151.92 17.79 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 75.209999999999994 110.825 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.68 -37.72 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.349999999999994 111.111 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.59 -48.63 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 111.161 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.99 -40.86 75.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.801 -0.714 . . . . 71.239999999999995 112.454 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -54.98 -54.09 47.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 75.540000000000006 110.869 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mt -70.42 -31.7 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 63.25 111.134 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.38 -31.83 6.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 111.149 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.89 -53.75 54.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.329999999999998 111.015 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.65 -43.51 65.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 73.140000000000001 111.069 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.2 mt -52.53 -66.96 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.894 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.4 -33.53 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 73.310000000000002 110.974 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.42 -38.06 76.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 74.310000000000002 111.091 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.08 -45.15 30.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 65.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -51.7 -50.29 60.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 65.25 110.89 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -70.89 -27.93 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.140000000000001 110.924 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.32 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.120000000000005 111.065 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 t -76.3 -30.21 57.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 73.019999999999996 110.863 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -63.59 -29.34 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 72.510000000000005 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.57 -10.53 19.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 110.872 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.0 21.98 78.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 74.439999999999998 112.518 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 m -113.56 160.82 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 74.319999999999993 111.165 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 -169.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 pt -137.64 159.78 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 70.430000000000007 111.103 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 124.07 16.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.530000000000001 110.885 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.52 -175.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 111.14 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 64.51 109.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 75.450000000000003 110.857 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.54 19.8 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 110.813 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -61.74 131.64 50.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 110.814 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.19 -4.55 45.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 74.019999999999996 111.004 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.0 162.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 62.119999999999997 111.073 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.3 -14.18 59.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.696 -0.764 . . . . 73.319999999999993 112.507 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.1 mm -68.99 -46.22 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 72.150000000000006 111.129 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.52 -10.51 59.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 75.030000000000001 111.14 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -55.53 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 110.867 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -17.38 52.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 71.430000000000007 110.888 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.42 -24.29 19.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.340000000000003 111.089 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p -64.43 -16.45 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 64.230000000000004 111.144 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.69 64.79 2.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 73.239999999999995 112.522 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -37.12 51.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.858 0.361 . . . . 74.510000000000005 110.898 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -76.83 118.95 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 72.400000000000006 110.899 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.81 90.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.933 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.69 -48.8 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.540000000000006 111.125 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -90.55 -54.37 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 74.409999999999997 110.927 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 51.73 44.58 29.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.5 110.875 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -103.09 -74.16 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.349999999999994 110.878 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -123.1 -36.45 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.540000000000006 110.908 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.77 -45.58 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 72.140000000000001 111.157 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -43.16 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 71.019999999999996 110.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.58 -31.71 11.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 71.299999999999997 111.102 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.39 -54.78 31.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 73.510000000000005 110.911 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.26 -31.58 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 65.299999999999997 111.162 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -75.51 -45.6 37.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 73.230000000000004 110.953 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.87 -23.74 66.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.140000000000001 110.953 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.6 ttp -52.84 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 110.926 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -53.12 -30.91 39.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 72.219999999999999 110.845 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -43.06 49.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.099999999999994 110.975 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.02 40.6 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.958 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.81 6.28 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 74.120000000000005 110.875 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.28 -6.51 65.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 71.129999999999995 112.536 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.1 -40.42 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 73.340000000000003 111.131 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -121.94 177.48 5.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 110.955 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.4 155.67 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 74.420000000000002 110.926 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.86 124.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 73.430000000000007 110.818 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.54 -178.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 73.349999999999994 110.874 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.12 135.48 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.120000000000005 110.91 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.94 -58.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 111.113 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt 54.59 -168.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 75.530000000000001 110.891 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -109.54 164.94 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 73.450000000000003 111.086 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.29 -67.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 74.140000000000001 110.832 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.8 p 179.34 -175.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 71.140000000000001 110.834 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.82 151.97 19.97 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.658 -0.782 . . . . 70.109999999999999 112.44 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -149.14 -166.84 2.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 63.340000000000003 110.913 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -6.72 48.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.935 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -50.52 -30.53 13.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 73.420000000000002 110.903 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -74.01 -38.79 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 110.915 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.82 -23.65 19.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.450000000000003 110.848 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.27 -37.75 56.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 74.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 27.0 m -57.93 -21.36 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 74.310000000000002 111.088 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -62.57 -53.36 55.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 71.420000000000002 110.931 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 10.7 ttp -72.43 -38.05 68.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.319999999999993 110.91 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -53.32 52.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 73.540000000000006 110.841 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.51 -33.5 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 73.319999999999993 111.171 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -52.07 -29.49 21.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 110.887 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.7 m -77.74 -34.61 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.340000000000003 110.819 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.95 -29.93 70.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 74.209999999999994 111.117 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.0 -43.98 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.109999999999999 110.932 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.88 38.36 2.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.806 -0.711 . . . . 63.409999999999997 112.457 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.14 150.31 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 72.010000000000005 111.141 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.45 165.51 13.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 75.239999999999995 110.933 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.25 120.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.827 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 52.39 -170.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 62.140000000000001 110.89 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -83.79 -43.4 15.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.846 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -176.4 172.65 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 110.855 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.24 164.8 2.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 75.439999999999998 110.852 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.27 157.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 72.319999999999993 110.912 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -167.16 178.55 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 72.400000000000006 110.817 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -124.98 -176.99 3.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 62.32 110.804 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 74.019999999999996 110.869 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.848 0.356 . . . . 71.140000000000001 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.51 150.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 61.439999999999998 110.869 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -130.23 -168.74 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 73.120000000000005 110.915 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -137.46 28.85 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -54.87 148.84 12.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 74.019999999999996 111.118 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -64.11 -75.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -148.28 -78.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 74.120000000000005 110.897 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -93.15 159.79 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 72.310000000000002 110.91 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.9 t -92.75 144.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.349999999999994 111.11 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -70.71 78.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 110.984 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.3 p -117.7 178.49 4.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.099 -0.501 . . . . 75.200000000000003 111.214 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.08 107.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 75.340000000000003 110.83 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.83 -169.05 29.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 45.310000000000002 112.508 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.78 153.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 73.319999999999993 110.897 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -179.77 164.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 70.299999999999997 110.889 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.25 114.73 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 71.129999999999995 111.175 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 70.17 -71.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.510000000000005 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.32 26.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 74.430000000000007 112.459 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -178.02 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.351 . . . . 63.020000000000003 110.934 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -106.37 134.25 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 110.904 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.98 164.92 19.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 74.420000000000002 111.071 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -143.56 130.44 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.865 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.98 163.69 32.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 72.109999999999999 111.112 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -162.34 138.42 7.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 75.129999999999995 110.939 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.91 107.06 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 61.340000000000003 111.091 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -93.33 135.77 34.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 110.833 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 t -151.08 108.59 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.25 111.157 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 142.57 42.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 71.219999999999999 110.922 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t0 70.86 9.46 6.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 72.209999999999994 110.848 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.09 24.89 39.14 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.801 -0.714 . . . . 64.310000000000002 112.524 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -149.94 158.61 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 75.030000000000001 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.6 128.64 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 111.179 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -107.57 -42.13 4.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 74.409999999999997 110.846 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -177.95 152.94 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.92 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.87 113.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 74.319999999999993 110.846 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -128.47 -38.82 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 74.530000000000001 110.862 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 65.52 151.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 111.069 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -154.39 176.92 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.219999999999999 110.838 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.49 174.39 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 72.129999999999995 111.123 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.11 -158.0 19.68 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 61.0 112.501 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.09 55.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 72.099999999999994 110.897 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -117.25 153.99 50.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 64.349999999999994 110.921 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -48.68 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 63.549999999999997 112.334 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.0 -32.17 70.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 73.239999999999995 111.069 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.06 -29.86 49.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 65.209999999999994 111.098 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.8 -36.78 36.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 72.430000000000007 111.083 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -71.5 -14.12 62.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 73.400000000000006 111.096 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.42 11.73 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 74.349999999999994 110.915 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 70.19 -72.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.230000000000004 110.835 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -163.99 23.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 73.430000000000007 110.864 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.44 -44.3 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 111.024 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.72 -20.32 58.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 60.32 111.115 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.43 -51.81 7.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 70.540000000000006 112.498 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -53.4 -48.71 68.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 75.239999999999995 110.946 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 mt -67.99 -31.93 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 65.540000000000006 111.18 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.21 -37.91 37.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 65.430000000000007 111.108 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.36 -49.74 76.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 51.039999999999999 111.112 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.06 -29.61 22.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.239999999999995 111.147 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.09 -67.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 110.958 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -59.44 -23.58 62.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.409999999999997 110.898 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.08 95.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 74.109999999999999 111.075 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.7 t -76.42 -43.04 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 75.329999999999998 111.075 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -51.24 -49.97 60.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 75.299999999999997 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -77.53 -30.31 52.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 74.430000000000007 110.904 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.99 -31.58 41.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 71.319999999999993 111.134 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t -75.95 -28.15 57.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 75.239999999999995 110.882 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -69.82 -41.04 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 61.409999999999997 111.0 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.18 -12.51 49.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 75.310000000000002 110.935 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.28 23.93 62.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.69 -0.767 . . . . 74.430000000000007 112.478 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 m -96.33 -32.54 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 71.420000000000002 111.135 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 64.0 -170.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -140.5 -178.55 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 74.349999999999994 111.163 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -53.05 121.03 6.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.420000000000002 110.821 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pp -110.81 -170.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 74.540000000000006 111.11 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.35 46.71 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 110.968 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 63.49 92.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.099999999999994 110.882 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -79.08 120.57 23.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 74.040000000000006 110.856 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -99.79 52.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 72.299999999999997 110.888 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.66 21.8 16.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 72.049999999999997 111.133 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.27 -50.94 0.85 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.714 -0.755 . . . . 65.409999999999997 112.449 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.18 -31.29 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 74.5 111.061 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.47 -11.38 60.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 63.32 111.172 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.26 -56.92 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.409999999999997 110.825 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.436 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.45 -13.29 56.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 70.340000000000003 110.973 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.83 -23.45 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 111.11 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.8 p -62.77 -37.12 85.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 111.129 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.21 90.26 1.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 63.140000000000001 112.473 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.49 -62.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 72.310000000000002 110.897 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.58 159.0 28.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 74.319999999999993 110.878 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -81.62 86.36 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.530000000000001 110.874 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.84 1.11 32.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 63.25 111.104 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -45.2 -33.42 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.349999999999994 110.869 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -91.48 45.24 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 73.109999999999999 110.901 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -141.51 -76.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 74.329999999999998 110.887 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 175.88 -27.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.010000000000005 110.885 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -40.96 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.150000000000006 111.171 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -40.1 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 71.219999999999999 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.64 -31.05 10.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.200000000000003 111.114 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -53.84 -54.03 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.109999999999999 110.879 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.9 -30.06 63.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 111.102 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -74.18 -53.19 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.452 . . . . 75.400000000000006 110.856 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.04 -27.11 65.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 73.040000000000006 110.94 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 ttp -54.38 -66.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 74.099999999999994 110.821 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -51.85 -30.85 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 65.340000000000003 110.883 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -46.65 64.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.329999999999998 110.901 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -129.28 36.79 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.914 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -77.6 160.67 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 73.510000000000005 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.43 -50.33 0.88 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.748 -0.739 . . . . 73.25 112.467 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -31.68 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 70.349999999999994 111.159 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -127.55 178.15 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 73.209999999999994 110.93 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.16 155.66 27.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 65.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -148.03 168.66 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 72.239999999999995 110.847 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -177.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.883 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -78.25 60.61 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.519999999999996 110.968 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.4 m -51.47 153.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.453 . . . . 74.150000000000006 111.117 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -133.6 -78.42 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 110.854 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.436 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 177.8 96.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 62.420000000000002 111.086 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -177.16 162.99 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 65.230000000000004 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 t -109.68 -169.23 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.400000000000006 110.837 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -152.16 -141.86 3.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 75.010000000000005 112.425 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.75 -84.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 73.299999999999997 110.928 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.11 11.93 23.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 73.239999999999995 110.897 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -48.15 -39.6 21.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 110.866 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -77.68 -34.5 52.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 75.510000000000005 110.87 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.79 -23.87 60.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 74.239999999999995 110.866 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.74 -39.39 62.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 110.889 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 17.5 m -56.36 -21.92 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 65.109999999999999 111.123 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.04 -51.72 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 110.887 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 9.3 ttp -72.42 -41.62 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.519999999999996 110.889 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -53.43 57.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 74.040000000000006 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.43 -33.79 55.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 63.009999999999998 111.115 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -31.08 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.329999999999998 110.912 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 m -78.73 -32.4 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 110.883 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.12 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 54.329999999999998 111.057 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -61.91 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 71.310000000000002 110.96 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 141.09 67.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 74.219999999999999 112.486 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 35.8 mm -109.54 146.22 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 75.319999999999993 111.081 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -97.5 178.96 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.849 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.82 159.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 74.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.89 162.63 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 73.439999999999998 110.933 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.87 -177.16 4.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.129999999999995 110.92 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -174.01 161.66 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 72.349999999999994 110.846 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -174.58 163.31 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 74.230000000000004 110.955 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -165.83 177.71 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 74.340000000000003 110.859 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.63 173.06 5.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 64.319999999999993 110.86 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -136.72 163.23 31.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 74.299999999999997 110.914 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 70.200000000000003 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.739 0.304 . . . . 64.319999999999993 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.91 -170.36 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 74.340000000000003 110.882 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -147.98 -169.22 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.826 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -149.35 18.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.040000000000006 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p -82.58 147.27 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 111.15 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -141.36 25.1 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 110.825 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.91 168.41 13.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 73.430000000000007 110.916 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -51.51 154.51 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 74.430000000000007 110.861 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.4 t -91.27 144.45 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 71.019999999999996 111.134 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -70.18 79.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.958 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.2 p -107.82 179.88 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 62.450000000000003 111.156 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 40.78 77.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 74.150000000000006 110.919 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.23 -148.37 3.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 61.219999999999999 112.515 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.27 -170.04 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.889 0.376 . . . . 71.299999999999997 110.825 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -136.5 -177.09 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 75.099999999999994 110.94 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.26 115.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 75.030000000000001 111.096 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 70.31 -70.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 72.109999999999999 110.869 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.77 25.15 0.16 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 74.010000000000005 112.491 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.43 -175.65 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 73.040000000000006 110.956 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -125.67 135.2 51.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 75.420000000000002 110.917 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.65 125.14 31.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.209999999999994 111.079 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -110.21 130.7 55.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.226 -0.443 . . . . 65.530000000000001 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.72 163.63 29.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.519999999999996 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.17 167.63 21.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 75.239999999999995 110.941 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.37 108.53 20.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 111.14 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -104.5 139.8 38.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 110.901 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 t -152.46 133.01 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 64.510000000000005 111.118 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -122.24 124.42 43.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.549999999999997 110.942 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.41 13.92 9.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.291 -0.413 . . . . 71.549999999999997 110.9 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.88 27.91 22.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 73.409999999999997 112.452 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.96 -179.09 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 73.209999999999994 110.92 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.1 99.77 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.409999999999997 111.105 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -85.63 -56.64 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 110.826 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -131.06 147.18 52.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 74.120000000000005 110.889 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -157.03 59.31 0.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.52 . . . . 73.5 110.828 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.58 103.03 4.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 74.409999999999997 110.903 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.1 -170.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 72.310000000000002 111.056 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -150.98 130.79 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 65.209999999999994 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.4 t -103.91 155.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 75.439999999999998 111.146 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.21 -151.68 14.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 45.130000000000003 112.497 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.35 46.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 73.129999999999995 110.869 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -121.61 153.08 59.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 63.509999999999998 110.878 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -48.53 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.689 2.259 . . . . 73.209999999999994 112.338 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.58 -33.19 69.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.349999999999994 111.104 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.91 -21.52 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.310000000000002 111.111 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.7 19.62 20.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.219999999999999 111.168 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -126.62 -1.56 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.129999999999995 111.131 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 mmt -98.7 35.21 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 74.349999999999994 110.879 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 56.35 31.13 18.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.851 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 64.41 14.78 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.540000000000006 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.2 t -73.2 -43.44 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 111.17 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.52 -30.09 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 73.530000000000001 111.061 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.92 -38.88 75.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 72.140000000000001 112.457 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -52.88 -55.34 23.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 64.129999999999995 110.947 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -75.46 -31.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 75.340000000000003 111.097 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.61 -50.39 17.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 75.349999999999994 111.124 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.53 -49.37 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 71.030000000000001 111.105 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.87 -34.86 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.140000000000001 111.043 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.11 -67.16 0.44 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 74.239999999999995 110.884 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -59.16 -28.67 66.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.230000000000004 110.946 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.65 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 75.319999999999993 111.127 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.3 t -76.27 -44.94 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 65.200000000000003 111.145 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -51.64 -49.45 62.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.530000000000001 110.88 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -77.07 -31.24 55.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 73.439999999999998 110.915 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.08 -33.25 38.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 64.510000000000005 111.053 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.1 t -74.91 -28.54 60.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 61.420000000000002 110.886 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.72 -42.95 63.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.319999999999993 110.899 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 mp -79.01 -2.31 39.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.329999999999998 110.892 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.55 13.1 58.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 33.340000000000003 112.493 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.36 156.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 75.230000000000004 111.147 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.62 149.18 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.87 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.8 pt -100.21 151.95 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 75.230000000000004 111.11 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -133.68 172.18 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 75.319999999999993 110.926 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.3 mm -125.03 -72.26 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 71.209999999999994 111.204 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt 68.03 -76.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 74.420000000000002 110.98 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -82.33 165.1 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 73.049999999999997 110.808 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 73.55 -1.31 3.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 62.340000000000003 110.872 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 66.61 -76.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 74.340000000000003 110.953 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -174.13 85.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 74.310000000000002 111.124 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -49.57 -30.56 13.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.785 -0.721 . . . . 62.210000000000001 112.407 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.78 -31.74 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 74.540000000000006 111.118 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.39 -7.7 52.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 74.430000000000007 111.087 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -62.13 -57.57 11.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 72.409999999999997 110.875 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.78 -11.83 56.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.186 -0.461 . . . . 72.329999999999998 110.873 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.13 -26.2 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 75.109999999999999 111.083 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.5 t -64.04 -40.55 96.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 72.340000000000003 111.126 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.29 106.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.761 -0.733 . . . . 71.150000000000006 112.473 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.42 -62.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 75.519999999999996 110.921 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.94 159.52 18.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 74.530000000000001 110.931 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.89 87.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 72.5 110.939 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.06 1.0 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 111.091 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -45.16 -31.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.239999999999995 110.894 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -87.25 48.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.420000000000002 110.896 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.0 -168.48 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 64.510000000000005 110.824 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.85 18.08 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 75.200000000000003 110.891 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -40.92 59.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 61.109999999999999 111.163 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -40.85 45.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.933 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.18 -36.32 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 111.13 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -53.71 -55.36 26.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 110.928 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.43 -29.76 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 73.349999999999994 111.084 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -76.0 -48.52 20.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.64 -18.37 62.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 74.340000000000003 110.866 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.8 ttt -60.02 -67.22 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 74.310000000000002 110.872 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -56.0 -30.23 61.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 71.510000000000005 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -44.87 54.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.310000000000002 110.939 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -131.73 35.78 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 72.219999999999999 110.896 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -84.73 128.17 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 70.420000000000002 110.859 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 156.94 -20.55 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.735 . . . . 64.530000000000001 112.484 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.07 -33.08 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 64.140000000000001 111.089 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -112.14 167.93 10.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.945 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.46 142.93 47.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.832 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.35 172.1 10.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 54.240000000000002 110.853 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.87 147.14 23.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 74.420000000000002 110.811 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.52 146.66 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 73.439999999999998 110.937 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.89 149.95 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 75.409999999999997 111.18 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -104.69 -80.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.9 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 174.83 127.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 60.43 111.097 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.85 -169.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.329999999999998 110.797 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.38 -168.89 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 64.319999999999993 110.826 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -90.65 -149.5 22.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.773 . . . . 70.140000000000001 112.509 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -178.35 -165.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 64.099999999999994 110.902 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -20.71 14.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.153 -0.476 . . . . 75.209999999999994 110.914 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.46 -30.83 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 64.400000000000006 110.862 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -76.52 -42.47 43.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 63.310000000000002 110.901 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.49 -24.48 8.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 62.310000000000002 110.851 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.63 -30.76 22.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.129999999999995 110.954 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 17.9 m -55.19 -24.07 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 71.329999999999998 111.164 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -53.33 -51.7 61.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 55.039999999999999 110.898 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.5 ttm -73.11 -42.98 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 72.239999999999995 110.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.74 -50.68 67.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 110.86 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.81 -38.33 61.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.150000000000006 111.087 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -53.29 -35.26 59.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 75.109999999999999 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -40.12 30.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.877 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.18 -34.02 68.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 74.319999999999993 111.149 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.12 -55.9 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 71.439999999999998 110.97 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 134.34 83.07 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 71.209999999999994 112.485 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 26.3 mm -119.08 144.0 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 72.430000000000007 111.124 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -176.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 73.209999999999994 110.844 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 13.7 t70 63.96 159.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.6 178.62 9.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 110.968 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.04 -177.26 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 75.310000000000002 110.865 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -150.37 140.68 22.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 64.129999999999995 110.815 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.19 151.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 73.450000000000003 110.942 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.64 170.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 73.120000000000005 110.91 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -161.78 -179.56 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 73.540000000000006 110.854 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.59 140.64 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 73.540000000000006 110.816 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 75.439999999999998 110.847 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.746 0.308 . . . . 75.420000000000002 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.04 22.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 110.839 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.78 98.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 71.310000000000002 110.9 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -98.12 30.31 3.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 74.310000000000002 110.863 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -51.22 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.049999999999997 111.173 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 71.87 -68.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 72.099999999999994 110.879 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -50.38 157.6 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 74.409999999999997 110.905 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -52.93 159.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 62.240000000000002 110.847 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.7 t -90.57 142.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 111.082 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -70.9 78.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.209999999999994 110.981 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.8 p -121.4 178.59 4.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 72.200000000000003 111.118 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 64.11 64.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.049999999999997 110.848 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.8 -3.93 75.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 64.430000000000007 112.45 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t 63.45 -169.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 75.120000000000005 110.835 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -86.63 165.63 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 73.129999999999995 110.918 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -139.86 109.12 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 75.400000000000006 111.128 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 69.62 -71.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.05 20.23 0.35 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.747 -0.739 . . . . 74.420000000000002 112.465 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -129.06 174.74 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 74.439999999999998 110.87 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -133.65 135.31 44.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 73.310000000000002 110.918 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.45 170.95 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 64.400000000000006 111.072 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -139.37 132.48 29.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 110.97 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.64 168.65 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 111.057 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -161.72 147.97 13.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 71.129999999999995 110.934 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.56 107.33 19.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 72.319999999999993 111.174 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -100.57 140.05 35.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 110.838 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -137.18 134.23 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 75.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.39 133.54 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 71.519999999999996 110.892 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.6 t0 67.55 12.0 8.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 72.109999999999999 110.847 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.43 24.94 27.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 73.010000000000005 112.447 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -149.64 160.02 43.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 74.109999999999999 110.9 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.11 123.7 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 75.209999999999994 111.14 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -107.71 -53.08 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.209999999999994 110.868 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -130.22 152.42 49.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 75.340000000000003 110.934 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.68 91.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 72.400000000000006 110.925 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.06 -42.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.868 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 64.42 164.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 63.210000000000001 111.015 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.66 161.73 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 71.519999999999996 110.887 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.8 t -108.54 155.43 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 75.409999999999997 111.097 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.49 174.96 15.8 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 73.430000000000007 112.483 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.54 55.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 75.439999999999998 110.945 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -127.17 156.34 74.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.569 0.7 . . . . 75.129999999999995 110.887 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -42.28 3.6 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 73.0 112.369 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.91 -27.54 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 54.240000000000002 111.073 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.44 -45.44 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.219999999999999 111.118 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -24.22 55.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 55.310000000000002 111.125 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 t -62.73 -32.98 74.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.209999999999994 111.099 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 mtp -89.05 1.13 56.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 73.319999999999993 110.813 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 71.93 -71.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 75.319999999999993 110.907 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.08 -30.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 74.549999999999997 110.84 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.8 t -49.85 -30.44 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 111.128 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.53 -58.66 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 64.129999999999995 111.076 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.44 -48.53 75.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 62.039999999999999 112.455 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.99 -39.06 62.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 73.409999999999997 110.92 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.5 mt -76.28 -32.22 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 73.200000000000003 111.132 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.08 -32.02 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 62.109999999999999 111.155 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.3 -51.06 60.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 53.43 111.15 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.51 68.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.299999999999997 111.055 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.0 mt -52.32 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 75.310000000000002 110.927 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -62.53 -34.69 77.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 110.914 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.29 83.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 75.409999999999997 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.0 t -76.63 -48.3 26.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 73.340000000000003 111.099 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -51.4 -44.11 62.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 72.010000000000005 110.918 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -74.58 -30.87 61.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 71.409999999999997 110.95 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.19 -32.05 22.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 65.120000000000005 111.081 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t -75.78 -33.82 60.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.519999999999996 110.903 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -62.41 -33.87 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 64.400000000000006 110.933 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.51 3.89 54.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.934 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.61 19.49 42.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 73.109999999999999 112.541 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 m -110.95 -171.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.368 . . . . 75.010000000000005 111.123 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.05 -169.07 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 74.430000000000007 110.951 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.7 pt -137.89 -178.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 74.540000000000006 111.183 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 147.86 8.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.828 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 tp 179.43 -35.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 111.133 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.63 -48.61 58.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 74.519999999999996 110.9 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -157.3 53.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 110.854 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -73.27 -61.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.530000000000001 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 t80 56.39 24.15 8.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.120000000000005 110.881 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.92 -175.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.209999999999994 111.128 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.81 -37.17 56.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 65.230000000000004 112.45 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.9 mm -50.56 -32.82 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 75.319999999999993 111.132 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.53 -34.26 47.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 65.340000000000003 111.077 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -55.3 27.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 73.209999999999994 110.89 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -32.52 66.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 74.329999999999998 110.93 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.04 -29.65 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 62.530000000000001 111.111 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.3 p -64.95 -24.79 67.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.450000000000003 111.158 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.67 73.08 1.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.781 -0.723 . . . . 74.540000000000006 112.547 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -55.4 -25.99 39.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 65.340000000000003 110.866 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -95.39 118.88 32.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 75.319999999999993 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 88.53 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 73.439999999999998 110.914 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.61 -49.93 13.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 75.340000000000003 111.063 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -91.27 -42.57 10.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 62.41 -86.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 75.219999999999999 110.874 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 60.48 -86.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.549999999999997 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.84 12.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.530000000000001 110.881 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.18 -32.71 59.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.040000000000006 111.195 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -46.17 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.409999999999997 110.897 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.02 91.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.519999999999996 111.059 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -52.68 -35.05 54.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.540000000000006 110.975 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.81 -28.89 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 73.450000000000003 111.145 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -74.45 -44.36 52.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 73.230000000000004 110.918 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.2 mt -54.04 -20.93 7.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 72.310000000000002 110.859 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -65.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.329999999999998 110.929 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -57.94 -31.45 66.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 70.409999999999997 110.948 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.62 67.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 110.93 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -114.22 27.12 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.92 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.74 128.45 33.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 70.319999999999993 110.881 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 156.85 -24.46 0.49 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.728 -0.749 . . . . 71.150000000000006 112.478 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -33.16 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 74.409999999999997 111.12 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.54 178.04 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 75.420000000000002 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.42 163.71 36.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 63.539999999999999 110.864 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.57 171.9 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 75.519999999999996 110.859 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -78.09 161.51 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 64.540000000000006 110.844 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.23 129.08 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.019999999999996 110.922 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.14 140.46 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 65.329999999999998 111.116 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -130.76 -76.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 73.040000000000006 110.907 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -179.3 133.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.510000000000005 111.102 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.07 -169.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.445 . . . . 74.219999999999999 110.816 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -150.58 172.77 14.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.835 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.15 -149.9 5.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 71.140000000000001 112.529 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.85 -78.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 75.439999999999998 110.847 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.64 10.99 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.549999999999997 110.924 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -48.01 -41.37 25.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 64.319999999999993 110.929 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -75.7 -40.31 55.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 72.400000000000006 110.875 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.16 -23.09 32.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 74.310000000000002 110.818 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -51.97 -42.52 62.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 75.430000000000007 110.948 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 20.5 m -55.78 -25.4 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.030000000000001 111.129 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.18 -50.06 74.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 110.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 14.2 ttp -72.38 -40.69 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 75.420000000000002 110.91 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -54.01 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.932 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.34 -33.83 55.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 71.140000000000001 111.147 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -30.47 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.150000000000006 110.856 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.4 m -73.29 -34.85 65.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 54.520000000000003 110.855 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.2 -39.44 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 71.219999999999999 111.149 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.92 -44.83 63.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 75.510000000000005 110.97 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.99 37.82 2.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 62.420000000000002 112.445 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 33.7 mm -63.55 -38.91 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 75.329999999999998 111.091 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 64.66 119.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.510000000000005 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -155.73 -170.02 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 73.200000000000003 110.819 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.37 -178.93 7.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 75.349999999999994 110.949 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 51.26 -169.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.140000000000001 110.858 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.53 166.65 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 75.340000000000003 110.788 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.8 t60 62.78 101.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 74.409999999999997 110.919 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -178.73 100.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 65.040000000000006 110.888 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -136.52 -177.35 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.843 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -171.39 73.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 74.120000000000005 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 74.120000000000005 110.879 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.794 0.331 . . . . 74.549999999999997 110.862 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.21 -179.5 6.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.150000000000006 110.851 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -139.63 -168.34 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 110.877 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -151.38 20.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.450000000000003 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.8 p -73.61 -176.14 2.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.450000000000003 111.095 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.78 -64.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 73.299999999999997 110.822 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -50.0 164.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 73.209999999999994 110.915 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -50.83 157.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 110.87 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -90.18 142.19 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.319999999999993 111.112 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -70.57 79.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.979 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.9 p -118.76 178.97 4.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 72.219999999999999 111.169 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.03 -171.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 70.439999999999998 110.903 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.14 141.97 12.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 73.239999999999995 112.488 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.58 177.07 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.352 . . . . 62.520000000000003 110.847 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -140.26 -70.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 73.409999999999997 110.9 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -143.41 128.97 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 74.109999999999999 111.125 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 46.27 -158.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 74.409999999999997 110.928 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.07 51.94 4.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 64.239999999999995 112.458 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.05 -175.63 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 75.209999999999994 110.937 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -129.05 136.56 50.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 75.120000000000005 110.926 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.85 173.17 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 74.319999999999993 111.116 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -138.65 130.41 27.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 75.439999999999998 110.891 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.34 168.38 19.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 62.149999999999999 111.183 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -163.05 165.21 25.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.340000000000003 110.882 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.5 107.09 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.062 -0.517 . . . . 54.140000000000001 111.061 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -91.14 140.08 30.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 74.099999999999994 110.946 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 t -144.02 127.91 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 73.310000000000002 111.137 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -121.62 131.69 54.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 74.409999999999997 110.891 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.15 13.42 8.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 110.888 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.5 23.34 37.04 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.767 -0.73 . . . . 70.209999999999994 112.473 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.72 170.15 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 73.349999999999994 110.876 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.48 119.48 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 74.150000000000006 111.087 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -107.58 -49.3 3.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 75.129999999999995 110.846 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -130.18 163.63 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 73.129999999999995 110.909 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -171.6 96.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.209999999999994 110.925 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -174.46 119.14 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 75.140000000000001 110.818 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.52 -176.78 6.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 111.123 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -153.87 138.95 17.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 71.209999999999994 110.844 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 t -105.18 155.49 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.129999999999995 111.131 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.41 -163.31 17.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 73.329999999999998 112.438 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.77 52.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 75.129999999999995 110.902 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -114.65 154.91 46.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.596 0.712 . . . . 74.319999999999993 110.906 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -48.76 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 73.219999999999999 112.367 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.75 -19.95 63.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 60.409999999999997 111.125 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.77 -35.19 13.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 75.120000000000005 111.105 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.22 -40.78 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 71.230000000000004 111.108 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 t -60.54 -20.13 59.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 111.127 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.4 mtp -90.97 12.48 19.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 75.349999999999994 110.861 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 69.94 -72.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 73.340000000000003 110.857 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -162.59 22.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 65.310000000000002 110.867 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 t -74.18 -51.0 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 71.219999999999999 111.13 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.73 -20.13 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 70.510000000000005 111.091 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.49 -49.81 8.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 61.130000000000003 112.529 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -64.97 -47.93 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 73.420000000000002 110.884 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mt -65.89 -32.01 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.450000000000003 111.103 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.05 -49.07 22.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 111.086 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.78 -54.65 17.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 111.062 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.05 -30.13 24.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 73.430000000000007 111.08 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.49 -67.29 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.439999999999998 110.928 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -58.46 -25.05 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 74.049999999999997 110.94 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.65 96.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 74.409999999999997 111.125 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.8 t -76.28 -43.76 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 62.549999999999997 111.132 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -51.86 -48.21 64.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 75.219999999999999 110.929 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -31.19 56.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 110.884 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.9 -32.36 32.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 75.099999999999994 111.133 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -76.07 -28.86 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.120000000000005 110.83 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.48 -43.57 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.040000000000006 110.939 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.6 mp -77.91 -3.24 40.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.42 11.39 59.42 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 72.439999999999998 112.506 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 m -101.65 -171.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 71.120000000000005 111.111 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.99 -169.93 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 110.864 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.9 pt -138.15 -178.99 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 75.549999999999997 111.154 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -52.5 107.89 0.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.848 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 pt -112.93 -13.86 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 71.099999999999994 111.142 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.77 66.53 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 74.530000000000001 110.898 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 51.22 61.42 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 72.319999999999993 110.884 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -51.37 110.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 75.109999999999999 110.855 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -85.3 49.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 110.85 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.99 -165.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 73.239999999999995 111.096 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.39 -35.24 35.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 75.409999999999997 112.469 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.14 -24.1 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 74.340000000000003 111.169 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.3 -22.74 12.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 73.530000000000001 111.052 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.31 -56.44 11.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 73.299999999999997 110.901 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 8.1 m-90 -73.0 -29.92 63.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.889 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.59 -28.67 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 64.200000000000003 111.145 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.7 p -70.02 -38.9 76.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.5 111.173 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.13 68.42 1.55 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 43.049999999999997 112.539 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -100.2 -63.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 73.209999999999994 110.91 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -175.48 159.35 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 75.230000000000004 110.9 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.88 95.4 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.549999999999997 110.83 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.03 -48.06 18.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.540000000000006 111.148 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -54.56 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 110.855 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 40.97 39.18 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 73.409999999999997 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -117.81 -75.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 110.97 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.4 -17.29 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 71.230000000000004 110.845 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -34.98 60.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 73.310000000000002 111.167 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -58.11 -42.17 85.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.0 110.986 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.5 -36.29 22.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 72.219999999999999 111.172 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -53.59 -48.57 69.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.925 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.78 -27.27 67.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 73.510000000000005 111.124 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -74.71 -51.39 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 73.310000000000002 110.886 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.89 -24.66 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 75.450000000000003 110.895 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.219999999999999 110.874 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.9 -30.52 61.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 72.430000000000007 110.905 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -47.76 50.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 74.129999999999995 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 34.79 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 73.230000000000004 110.924 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 128.15 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 74.420000000000002 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.54 -21.68 0.33 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.789 -0.72 . . . . 53.520000000000003 112.517 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -33.7 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 73.319999999999993 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -115.75 177.75 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 73.019999999999996 110.915 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -139.78 151.75 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 72.310000000000002 110.863 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.95 172.76 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.140000000000001 110.915 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.41 164.11 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.409999999999997 110.894 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -71.59 78.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.040000000000006 110.943 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.0 m -50.87 111.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 111.107 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -71.22 -78.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 75.120000000000005 110.863 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 176.31 150.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 63.409999999999997 111.106 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.77 -177.1 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 72.510000000000005 110.814 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 p -91.29 -169.08 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 75.420000000000002 110.857 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -111.76 138.39 14.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 53.539999999999999 112.545 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.402 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . 13.0 m-20 -135.85 -140.15 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 71.030000000000001 110.919 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -106.12 -2.69 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 110.924 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.402 ' CD2' ' HB2' ' A' ' 121' ' ' ASN . 5.0 p90 -53.09 -26.5 16.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 75.319999999999993 110.895 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -75.6 -36.64 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.340000000000003 110.894 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.62 -24.02 45.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.420000000000002 110.954 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -52.17 -36.97 53.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.420000000000002 110.99 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 27.2 m -55.58 -22.11 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 74.519999999999996 111.188 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -61.48 -53.02 61.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 75.040000000000006 110.876 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.8 ttm -69.15 -44.3 72.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 110.867 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -49.11 78.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.430000000000007 110.944 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.82 68.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 74.040000000000006 111.145 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -51.84 -30.0 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 72.129999999999995 110.851 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.1 t -70.72 -45.84 64.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 72.0 110.823 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.46 74.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 60.109999999999999 111.069 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.05 93.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 74.340000000000003 110.897 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 100.89 29.39 6.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 71.439999999999998 112.515 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.08 147.86 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 73.519999999999996 111.142 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.81 158.02 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.864 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.39 177.57 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.879 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.451 ' C ' ' CD2' ' A' ' 140' ' ' LEU . 0.0 OUTLIER -155.67 164.91 37.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 71.040000000000006 110.935 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.64 -176.13 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.530000000000001 110.932 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -142.4 44.23 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 110.877 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.72 173.7 11.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 74.409999999999997 110.81 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.18 153.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 75.319999999999993 110.938 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -173.94 153.75 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.010000000000005 110.875 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -136.15 163.91 29.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 73.349999999999994 110.885 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 73.030000000000001 110.846 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 73.430000000000007 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -170.36 -172.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 75.310000000000002 110.86 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -155.24 175.16 14.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 110.843 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -92.51 119.2 31.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 72.530000000000001 110.881 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.4 p -138.69 -78.1 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 75.239999999999995 111.173 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 61.65 62.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 110.918 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -174.6 135.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.150000000000006 110.945 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -49.55 160.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 74.040000000000006 110.872 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.74 142.9 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 72.430000000000007 111.127 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -71.25 78.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 72.439999999999998 110.904 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.6 p -130.82 155.52 46.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 71.209999999999994 111.162 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.35 59.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 62.130000000000003 110.855 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.18 66.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.667 -0.778 . . . . 62.119999999999997 112.438 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.53 126.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 73.200000000000003 110.849 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -158.14 161.34 37.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 72.239999999999995 110.947 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p -142.24 125.38 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 75.530000000000001 111.148 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 46.19 -156.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 73.030000000000001 110.879 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.95 54.96 3.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.681 -0.771 . . . . 74.25 112.461 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -143.93 -179.21 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 73.439999999999998 110.845 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -129.76 134.59 47.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 72.409999999999997 110.887 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.84 159.48 40.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 63.450000000000003 111.114 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -132.47 130.53 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.968 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.99 168.14 15.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 73.209999999999994 111.05 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.08 176.57 11.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 71.540000000000006 110.934 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.21 125.65 51.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 74.530000000000001 111.124 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -113.69 140.46 48.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.310000000000002 110.828 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 t -143.32 133.17 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 72.129999999999995 111.141 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -139.39 141.81 37.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 71.099999999999994 110.907 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 66.44 13.15 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 25.010000000000002 110.858 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.84 7.73 68.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 74.530000000000001 112.401 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -134.52 169.47 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 73.420000000000002 110.89 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -64.38 125.61 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.219999999999999 111.156 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -107.53 -57.59 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 74.140000000000001 110.834 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -130.14 159.86 35.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 73.209999999999994 110.911 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.52 87.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 75.340000000000003 110.885 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -159.69 138.99 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 65.120000000000005 110.826 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.85 179.88 5.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 111.115 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.35 148.95 30.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 74.040000000000006 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 t -108.73 155.65 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 75.239999999999995 111.17 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.41 -154.61 11.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 63.420000000000002 112.451 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.34 55.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 75.049999999999997 110.945 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -122.38 154.85 62.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 73.450000000000003 110.899 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.67 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.653 2.236 . . . . 73.319999999999993 112.381 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.91 69.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 73.540000000000006 111.102 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.04 14.11 22.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.439999999999998 111.122 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.07 12.6 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 74.430000000000007 111.153 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -119.62 12.69 12.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 74.099999999999994 111.114 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.39 22.36 8.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 110.975 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 72.09 -73.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 71.400000000000006 110.852 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -172.15 22.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 73.400000000000006 110.848 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.12 -32.82 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 73.200000000000003 111.118 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.24 -55.9 5.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 74.099999999999994 111.107 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.84 -33.62 56.37 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.744 -0.741 . . . . 71.140000000000001 112.483 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.62 -54.39 47.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 73.519999999999996 110.86 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mt -74.02 -31.49 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 73.099999999999994 111.175 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.55 -38.02 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.519999999999996 111.069 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.0 -47.41 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.409999999999997 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.52 -37.56 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 72.409999999999997 111.113 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.81 -66.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 71.510000000000005 110.991 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -53.64 -28.35 32.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.310000000000002 110.951 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.77 80.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.043 -0.526 . . . . 73.140000000000001 111.079 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.7 t -75.93 -43.36 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.150000000000006 111.107 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -51.5 -48.41 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 75.099999999999994 110.89 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 -31.38 55.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 75.349999999999994 110.902 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.03 -34.39 42.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 74.140000000000001 111.11 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 t -73.95 -28.79 61.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 75.430000000000007 110.897 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -72.22 -39.57 68.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 71.540000000000006 110.953 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mp -82.49 1.56 37.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.87 22.01 39.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 71.120000000000005 112.512 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 m -108.77 -175.9 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 73.420000000000002 111.206 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -138.19 152.53 48.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.109999999999999 110.957 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.6 pt -100.21 179.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 71.340000000000003 111.115 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.6 140.88 33.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.430000000000007 110.849 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.5 pt -151.26 178.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 73.409999999999997 111.1 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 68.54 -75.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.049999999999997 110.934 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -110.82 96.21 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 64.420000000000002 110.871 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.58 -49.78 5.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.819 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 51.8 30.24 6.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 74.120000000000005 110.933 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.25 -169.52 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.51 . . . . 73.239999999999995 111.148 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -56.28 -22.68 38.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.742 . . . . 73.530000000000001 112.567 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.0 mm -79.58 -21.18 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 75.040000000000006 111.11 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.52 -37.03 74.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 53.399999999999999 111.131 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -92.91 -20.93 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 75.120000000000005 110.902 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -75.9 -27.15 57.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 73.340000000000003 111.002 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.93 -18.83 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 74.540000000000006 111.127 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -65.08 -23.12 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 74.549999999999997 111.163 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.41 76.82 1.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 73.540000000000006 112.502 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -30.7 26.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 75.420000000000002 110.903 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.06 123.95 29.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.430000000000007 110.935 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.93 98.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.858 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.61 -48.78 18.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 73.439999999999998 111.155 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.07 -37.97 23.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 74.310000000000002 110.849 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 40.96 40.58 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 74.409999999999997 110.921 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.51 -75.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 72.340000000000003 110.934 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.82 12.68 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 75.519999999999996 110.892 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -40.5 57.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 73.129999999999995 111.164 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -39.68 35.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 72.450000000000003 110.888 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.19 -40.83 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 111.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -52.27 -55.51 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.219999999999999 110.913 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.4 -32.25 38.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 63.119999999999997 111.063 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -76.93 -56.52 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.530000000000001 110.927 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.8 mt -55.69 -21.71 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.86 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.91 -67.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 73.230000000000004 110.847 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -56.43 -30.49 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 72.25 110.893 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -49.22 54.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.219999999999999 110.874 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -126.84 35.45 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 71.120000000000005 110.946 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.89 129.56 34.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 75.530000000000001 110.838 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.74 -21.18 0.38 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 54.299999999999997 112.497 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -31.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 74.219999999999999 111.17 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -117.7 177.6 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 75.329999999999998 110.963 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 t -148.75 161.46 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.219999999999999 110.828 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -170.93 172.84 5.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 74.519999999999996 110.869 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.43 155.07 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 71.239999999999995 110.927 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.79 101.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 73.430000000000007 110.96 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.4 p -114.13 146.97 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 111.164 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -129.84 -65.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 75.120000000000005 110.872 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.68 160.21 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 111.097 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 179.62 -169.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.219999999999999 110.797 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.6 p -82.66 -75.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 65.450000000000003 110.859 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 139.44 -173.83 22.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.662 -0.78 . . . . 65.120000000000005 112.47 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -179.42 -169.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 72.340000000000003 110.902 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -6.84 51.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.913 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -51.61 -29.72 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -74.04 -41.98 60.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.010000000000005 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.58 -25.04 9.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 72.099999999999994 110.931 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -52.43 -36.26 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 110.92 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 32.5 m -55.57 -23.58 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 73.530000000000001 111.156 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -60.85 -53.59 55.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 73.510000000000005 110.873 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -39.94 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 70.310000000000002 110.883 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -46.69 86.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 74.129999999999995 110.914 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.93 71.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 72.319999999999993 111.109 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -59.58 -36.03 75.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 75.340000000000003 110.906 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 t -59.75 -31.74 69.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.310000000000002 110.832 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -51.61 -40.4 59.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.299999999999997 111.059 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 mp -88.46 -13.6 39.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 74.140000000000001 110.952 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.87 36.79 35.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 72.530000000000001 112.422 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.1 mt -70.56 138.41 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 73.230000000000004 111.077 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -173.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 71.439999999999998 110.896 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.11 141.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.510000000000005 110.917 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.33 99.57 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 71.420000000000002 110.877 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -157.2 142.64 17.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 73.530000000000001 110.891 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -177.91 118.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 73.030000000000001 110.839 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.46 -173.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 75.239999999999995 110.891 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 61.48 176.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.848 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -169.48 -171.52 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 71.209999999999994 110.783 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -113.81 176.73 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 64.549999999999997 110.822 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 70.519999999999996 110.906 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.777 0.322 . . . . 74.22 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -159.12 24.26 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 53.12 110.844 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -70.34 165.24 22.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.147 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -157.03 26.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.876 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.594 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 23.6 m-85 -139.02 154.05 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 64.4 110.879 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -50.89 153.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 60.24 110.846 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.615 HG12 HG23 ' A' ' 11' ' ' THR . 94.0 t -90.39 147.68 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.175 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -68.39 78.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.685 ' O ' HG21 ' A' ' 127' ' ' VAL . 71.1 p -139.36 164.19 30.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 63.5 111.129 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.549 ' CG ' HD11 ' A' ' 81' ' ' ILE . 0.9 OUTLIER 64.5 108.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.896 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.22 85.53 1.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 73.33 112.459 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 t -175.6 141.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 75.45 110.866 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -179.23 157.39 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.896 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.6 p -129.08 115.21 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.23 111.147 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 70.43 -70.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 54.31 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.84 23.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 53.55 112.474 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -175.65 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 71.11 110.907 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -129.0 134.66 48.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.927 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.15 150.78 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 74.05 111.059 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -120.81 130.6 54.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.903 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 11' ' ' THR . . . -132.18 165.55 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 72.14 111.061 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.84 163.91 29.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 54.34 110.919 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.75 126.6 53.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 62.13 111.092 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.673 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.6 m-85 -109.12 140.06 43.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.53 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.0 t -143.43 129.41 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 74.35 111.087 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -124.55 134.26 53.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.918 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 t0 66.97 12.65 9.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.865 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.28 25.48 28.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 63.22 112.468 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 27' ' ' VAL . 8.3 ptpt -149.54 162.04 40.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 72.1 110.859 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.09 121.53 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 75.32 111.092 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -107.66 -46.04 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 64.41 110.841 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -130.21 177.31 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 71.31 110.896 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -179.36 103.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.942 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.92 145.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 65.31 110.855 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.59 -171.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.102 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -156.95 138.65 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 40' ' ' GLY . 17.6 t -111.52 155.67 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.121 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.417 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -101.78 -147.24 19.67 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 51.02 112.491 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.4 -33.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 71.04 110.881 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -50.76 147.8 8.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.736 . . . . 72.31 110.896 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' O ' HG22 ' A' ' 47' ' ' THR . 53.2 Cg_endo -69.8 -46.21 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 52.52 112.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.56 -30.78 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 73.12 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.21 -17.38 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 73.02 111.08 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.56 19.29 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 72.55 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 43' ' ' PRO . 14.3 t -125.97 -2.89 7.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 73.55 111.166 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.0 mmm -96.35 33.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 63.3 110.868 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.558 ' HB2' HG23 ' A' ' 51' ' ' VAL . 11.8 mtt180 63.42 28.05 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.34 110.821 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 64.22 15.32 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.558 HG23 ' HB2' ' A' ' 49' ' ' ARG . 86.9 t -72.96 -42.86 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.45 111.133 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -51.93 -29.69 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 53.24 111.08 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.78 -43.44 59.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.469 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -55.03 -54.65 40.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.361 . . . . 74.51 110.865 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.72 -30.19 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.12 111.092 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.19 -46.45 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.42 111.124 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.488 ' HB3' ' HB ' ' A' ' 11' ' ' THR . . . -50.18 -55.16 16.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 62.15 111.074 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.85 -29.8 21.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 73.42 111.056 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.6 mt -69.79 -67.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 61.21 110.932 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.619 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 33.6 m-85 -58.74 -23.27 59.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.964 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.54 96.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 61.33 111.088 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.8 t -76.28 -43.1 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.14 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -51.62 -47.92 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.894 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 68' ' ' LEU . 3.6 mmtm -76.66 -30.09 56.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.935 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.56 -31.78 37.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.116 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.4 t -76.06 -28.69 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.84 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -71.28 -41.01 70.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 72.44 110.895 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -81.96 0.67 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.946 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.63 17.03 47.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 65.05 112.481 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 68' ' ' LEU . 6.1 m -105.2 -179.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 73.23 111.17 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.78 153.77 48.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 54.12 110.877 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -100.06 179.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 75.45 111.134 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 61.13 110.896 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 82' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.909 0.385 . . . . 73.12 110.906 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 55.7 -168.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 65.33 111.135 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.46 -25.36 74.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 21.44 112.469 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.549 HD11 ' CG ' ' A' ' 12' ' ' ASP . 2.0 mp -65.19 -32.97 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.866 0.365 . . . . 61.54 111.171 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 78' ' ' TYR . . . -74.62 -5.44 43.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 62.02 111.098 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -68.75 -57.88 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 64.23 110.877 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -16.57 46.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 70.54 110.953 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 115' ' ' VAL . . . -58.03 -20.65 40.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.24 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 71.43 111.136 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.948 0.404 . . . . 71.32 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -26.89 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 71.24 111.172 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -45.1 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 62.21 110.927 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.1 -33.32 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 71.13 111.095 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.419 ' CE2' HG21 ' A' ' 115' ' ' VAL . 9.5 t80 -54.31 -54.42 40.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.914 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.76 -31.92 65.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 60.43 111.144 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -74.27 -48.67 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.908 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.71 ' CD1' HD13 ' A' ' 59' ' ' LEU . 10.3 mt -58.19 -20.03 38.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.35 -66.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 45.11 110.872 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -55.23 -31.19 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 63.3 110.908 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -44.16 52.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 72.54 110.9 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -131.92 34.85 3.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 72.42 110.952 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -81.3 128.43 33.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 74.41 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.3 -21.03 0.41 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 52.21 112.468 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.02 -33.59 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 73.1 111.176 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -115.65 177.38 4.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.955 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -145.2 154.32 42.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 45.22 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.3 171.89 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 70.43 110.891 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.17 -173.25 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.88 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.52 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 3.0 ttpp -77.24 124.25 27.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.925 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -119.52 105.36 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 64.33 111.174 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -67.72 -81.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.874 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -178.52 -174.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.03 111.101 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 60.8 t60 64.63 158.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.5 -176.37 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 63.13 110.847 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 142.39 91.58 0.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 30.5 112.462 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 t30 179.91 -167.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 73.01 110.911 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -105.32 9.4 33.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.921 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -51.24 -29.33 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.43 110.887 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.72 ' O ' HG22 ' A' ' 127' ' ' VAL . 13.2 p30 -75.67 -39.98 56.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 75.53 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.35 -24.95 13.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 71.24 110.843 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.82 -36.78 59.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.926 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 124' ' ' ASN . 19.8 m -57.27 -20.31 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.33 111.123 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.15 -50.71 70.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.909 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 7.4 ttp -72.45 -41.21 66.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 61.42 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -54.2 44.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 45.12 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.3 -33.96 55.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 73.31 111.149 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.42 -33.0 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.899 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.0 t -71.75 -32.68 67.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 62.13 110.889 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.594 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -79.92 -42.85 23.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 43.35 111.098 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 136' ' ' GLY . 2.5 tt -52.94 -56.58 14.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 74.23 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.589 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 137.34 74.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 52.23 112.475 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.544 HD11 HD22 ' A' ' 135' ' ' LEU . 24.0 mm . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 61.1 111.154 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.799 0.333 . . . . 74.34 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -93.11 16.62 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -88.1 134.11 33.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 74.22 111.139 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -142.99 20.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 71.54 110.873 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -117.5 164.34 15.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 73.41 110.928 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -50.51 153.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.078 -0.51 . . . . 73.02 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.565 HG12 HG23 ' A' ' 11' ' ' THR . 55.4 t -90.84 143.46 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 54.11 111.161 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -71.71 78.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 63.24 110.943 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.696 ' O ' HG21 ' A' ' 127' ' ' VAL . 11.2 p -119.71 179.15 4.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.079 -0.51 . . . . 73.05 111.2 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.84 63.61 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.859 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.4 -110.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 74.24 112.469 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -172.02 145.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 61.44 110.836 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -51.97 168.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 75.14 110.892 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -140.25 110.63 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 73.12 111.211 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 70.26 -69.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 64.42 110.906 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.84 -36.71 0.07 OUTLIER Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.714 -0.755 . . . . 52.35 112.414 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.19 -178.86 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 70.41 110.898 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.488 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 51.0 p90 -113.77 168.06 10.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 71.4 110.942 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.682 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -147.49 162.67 38.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 53.21 111.16 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.3 p-90 -141.66 130.57 23.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 75.02 110.913 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 11' ' ' THR . . . -128.72 169.13 14.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 64.23 111.088 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.05 169.98 22.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 55.02 110.917 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.52 125.12 53.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 71.12 111.146 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.642 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.4 m-85 -111.74 138.4 48.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 64.3 110.897 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 t -144.65 129.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 72.42 111.091 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -127.64 137.37 52.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 71.3 110.836 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 67.91 11.96 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.851 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.06 22.06 36.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 54.22 112.489 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.58 157.48 43.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 65.23 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -54.95 123.12 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 61.2 111.095 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -106.75 -44.97 4.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.839 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -130.38 174.99 9.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 61.34 110.906 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -177.81 105.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 73.43 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.79 159.33 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 72.43 110.908 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -127.83 175.08 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 64.55 111.072 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -153.84 170.68 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 71.25 110.913 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 21' ' ' ALA . 8.5 m -123.4 157.83 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 65.21 111.113 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.31 -155.79 32.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 64.22 112.532 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.98 33.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 75.04 110.922 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -105.13 154.28 38.92 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 71.42 110.924 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' O ' HG22 ' A' ' 47' ' ' THR . 54.0 Cg_endo -69.76 -48.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.685 2.256 . . . . 63.23 112.286 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.7 -18.32 65.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 75.34 111.092 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB1' ' CZ ' ' A' ' 20' ' ' TYR . . . -90.47 -36.26 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 73.31 111.157 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.31 -41.7 80.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 63.23 111.148 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 43' ' ' PRO . 2.4 t -59.42 -20.82 57.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.086 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.412 ' HG3' ' HB2' ' A' ' 52' ' ' ALA . 17.9 mmt -83.34 1.45 41.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.01 110.917 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 62.06 -86.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.865 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -134.14 3.5 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.853 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.1 t -73.27 -39.71 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 61.01 111.105 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.412 ' HB2' ' HG3' ' A' ' 48' ' ' MET . . . -70.73 -47.19 61.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 60.44 111.092 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.39 -20.73 38.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 64.1 112.556 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.83 -55.45 8.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 73.43 110.92 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.0 mt -75.06 -30.51 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 71.25 111.086 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.38 -33.46 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 51.34 111.085 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.98 83.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.24 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.39 -29.27 23.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 63.34 111.142 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.506 HD13 HD13 ' A' ' 102' ' ' LEU . 9.4 mt -62.32 -66.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 62.11 110.923 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.78 98.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.5 111.057 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 58' ' ' ALA . 87.1 t -76.26 -47.27 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.13 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -51.61 -44.59 62.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.845 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.732 ' O ' HD12 ' A' ' 68' ' ' LEU . 18.0 mmmt -75.24 -30.79 60.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 73.53 110.847 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 71' ' ' LYS . . . -51.18 -36.24 40.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 64.41 111.087 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.424 ' HA ' HG21 ' A' ' 109' ' ' ILE . 4.3 t -70.47 -29.84 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 35.51 110.855 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -73.92 -40.62 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 62.23 110.908 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.1 mp -85.63 -8.78 58.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 52.2 110.88 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.71 35.13 37.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 30.23 112.524 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 68' ' ' LEU . 14.4 m -110.12 -30.29 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 72.52 111.186 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER 66.5 -174.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.5 110.857 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.1 pt -136.05 179.48 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 63.41 111.122 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.925 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.923 0.392 . . . . 74.21 110.942 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 50.22 -167.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 63.54 111.11 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.43 -8.83 63.44 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 72.03 112.461 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.52 HG23 ' HZ3' ' A' ' 84' ' ' TRP . 8.9 mm -75.59 -46.14 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 64.03 111.165 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.33 -21.08 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.14 111.158 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -63.8 -55.58 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.23 110.828 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.52 ' HZ3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -81.01 -24.22 38.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.914 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.64 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -52.09 -28.3 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 70.32 111.149 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.181 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.959 0.409 . . . . 74.32 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -25.93 28.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 75.3 111.22 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -49.02 -47.11 44.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.891 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.23 94.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 74.23 111.083 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -53.02 -33.7 52.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 70.54 110.886 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.33 -29.16 63.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.03 111.118 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -74.2 -44.84 51.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 75.03 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.506 HD13 HD13 ' A' ' 59' ' ' LEU . 57.5 mt -58.35 -19.91 39.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.15 110.893 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.3 ttt -53.42 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 64.35 110.89 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -55.47 -33.46 63.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -49.25 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 73.22 110.914 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.42 ' CD1' HG11 ' A' ' 62' ' ' VAL . 1.7 p90 -115.29 30.29 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 63.14 110.93 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -85.49 127.07 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.526 . . . . 75.42 110.956 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 155.68 -20.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 55.11 112.458 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.424 HG21 ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -108.1 -33.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 65.03 111.125 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -118.92 177.82 4.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.948 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.48 141.62 23.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 64.54 110.922 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -154.75 172.16 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 75.23 110.867 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 154.97 36.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 61.55 110.918 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -51.21 132.68 28.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.92 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -121.57 145.99 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 75.22 111.185 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -135.43 -76.95 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 62.21 110.917 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -177.64 133.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.44 111.108 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -174.93 155.85 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 73.5 110.864 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.7 p -50.55 167.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 53.55 110.942 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -108.35 -165.88 21.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 62.45 112.502 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -179.31 -168.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.321 . . . . 62.15 110.843 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -83.38 2.7 35.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 71.3 110.985 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -53.21 -29.99 35.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 74.23 110.893 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.794 ' O ' HG22 ' A' ' 127' ' ' VAL . 4.6 p30 -73.53 -38.23 65.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 72.5 110.897 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.4 -24.93 21.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 74.33 110.88 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.27 -34.18 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 71.23 110.861 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 124' ' ' ASN . 35.0 m -55.24 -24.35 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 62.52 111.126 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -56.59 -52.35 65.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.847 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -41.12 66.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.817 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.29 65.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 55.54 110.907 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.33 -36.57 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.0 111.171 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.644 ' HA ' HD12 ' A' ' 135' ' ' LEU . 2.1 tttt -52.55 -31.21 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.928 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 m -76.38 -35.02 58.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.885 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.42 -31.49 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 74.31 111.076 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 132' ' ' LYS . 2.1 mt -77.63 -51.49 10.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.35 110.904 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 115.95 41.14 0.79 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.706 -0.759 . . . . 75.21 112.451 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.9 mm . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.814 0.34 . . . . 62.54 111.168 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.82 0.343 . . . . 74.12 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -158.74 27.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 64.51 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 p -63.26 -76.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.23 111.158 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 63.81 16.5 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.424 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 24.2 m-85 -134.73 154.0 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.709 ' OD2' HG12 ' A' ' 127' ' ' VAL . 22.2 t0 -51.23 151.62 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.844 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.551 HG12 HG23 ' A' ' 11' ' ' THR . 73.2 t -91.39 142.78 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 75.3 111.154 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -71.48 79.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.927 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.605 ' O ' HG21 ' A' ' 127' ' ' VAL . 41.3 p -116.14 173.33 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.134 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.16 157.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.14 110.867 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.13 146.95 8.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 62.43 112.471 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -169.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.358 . . . . 74.24 110.831 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.722 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 16.1 t80 -147.35 -70.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.89 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.94 131.01 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.01 111.069 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 45.73 -156.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.899 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.93 50.22 4.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.47 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.66 -179.2 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 73.41 110.831 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -125.99 135.45 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.31 110.971 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.722 ' HB3' ' HB2' ' A' ' 15' ' ' TYR . . . -147.54 173.05 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.094 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 28.8 p90 -139.34 130.62 26.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.848 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -131.79 165.38 23.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 55.4 111.077 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.81 167.93 24.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.924 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.18 125.36 54.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 54.35 111.073 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.648 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.7 m-85 -112.34 138.18 49.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.921 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.8 t -145.31 128.02 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 75.3 111.143 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.69 135.78 54.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.921 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.16 12.51 9.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 64.13 110.924 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.24 24.23 32.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 33.11 112.498 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' N ' HG13 ' A' ' 27' ' ' VAL . 5.2 ptpt -149.42 159.87 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 71.43 110.887 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.95 122.15 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.34 111.087 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -107.71 -45.06 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 73.14 110.865 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.11 -175.74 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.915 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -174.72 -168.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 73.02 110.827 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 65.26 153.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.876 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -120.33 -169.5 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.02 111.087 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -142.3 138.56 31.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.897 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.3 t -101.77 155.22 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 64.31 111.147 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -124.09 163.06 17.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.717 -0.754 . . . . 51.34 112.45 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 48.06 1.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 72.25 110.844 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -90.02 154.63 47.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.536 0.684 . . . . 75.11 110.945 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -48.33 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.676 2.251 . . . . 71.51 112.375 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.59 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.084 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.57 -52.57 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.118 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.1 93.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.139 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.7 t -58.14 -21.92 48.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 65.41 111.185 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.83 15.73 14.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 71.41 110.865 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 69.72 -73.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.774 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -164.3 23.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 75.3 110.87 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 119' ' ' SER . 88.9 t -74.39 -43.82 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.05 111.091 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.572 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -75.83 -23.37 55.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.066 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.64 -48.81 9.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 72.23 112.501 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -57.03 -46.95 81.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 74.12 110.905 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.628 HD13 HG23 ' A' ' 96' ' ' THR . 2.6 mt -74.3 -30.39 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 72.31 111.106 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.639 ' HB3' ' HB3' ' A' ' 22' ' ' TRP . . . -46.28 -33.45 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 73.42 111.104 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.46 ' HB3' ' HB ' ' A' ' 11' ' ' THR . . . -52.8 -54.05 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 71.12 111.144 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.08 68.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 60.1 111.125 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.693 HD13 ' CD1' ' A' ' 102' ' ' LEU . 14.5 mt -53.19 -67.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.924 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -65.82 -21.26 66.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.111 -0.495 . . . . 75.11 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -47.58 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 62.3 111.16 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 110' ' ' TYR . 99.6 t -71.95 -44.65 66.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.41 111.068 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -51.29 -47.86 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.04 110.891 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.641 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.8 mptt -76.6 -29.9 56.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 60.01 110.893 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.62 -33.5 46.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 64.42 111.1 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.8 t -73.71 -28.63 61.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 64.01 110.918 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -70.86 -38.68 73.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 52.01 110.889 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.68 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -87.42 4.45 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 72.13 110.933 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.9 25.61 31.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 52.12 112.453 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 68' ' ' LEU . 10.3 m -114.48 149.19 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.402 . . . . 64.41 111.108 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.81 149.62 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.911 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.9 pt -100.47 179.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 51.14 111.14 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.823 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.918 0.389 . . . . 65.34 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.492 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . . . -99.77 -169.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 63.04 111.09 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.5 -21.13 48.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 63.42 112.44 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.467 HG23 ' CZ3' ' A' ' 84' ' ' TRP . 12.1 mm -80.05 -46.03 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.348 . . . . 74.24 111.113 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.66 -9.65 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 74.3 111.049 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -75.99 -56.05 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 70.23 110.869 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.566 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.48 -19.22 42.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 75.22 110.979 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -48.69 -28.77 3.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 53.3 111.126 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 73.21 111.176 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.916 0.388 . . . . 75.01 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.628 HG23 HD13 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -53.43 -26.9 21.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.43 111.175 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -49.85 -40.15 41.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.909 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.58 -31.53 10.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 72.23 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.43 ' CE2' HG21 ' A' ' 115' ' ' VAL . 88.6 t80 -54.09 -54.75 35.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.907 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -54.94 -32.73 61.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 61.23 111.109 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -74.81 -47.25 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.884 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.693 ' CD1' HD13 ' A' ' 59' ' ' LEU . 6.7 mt -64.02 -15.77 60.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.899 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.26 -66.15 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 62.03 110.937 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -51.15 -32.59 23.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.841 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -41.68 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 73.41 110.789 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.418 ' CD1' HG11 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -128.55 31.18 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.856 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.83 126.8 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 72.53 110.896 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.94 -20.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 54.13 112.46 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -33.88 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 73.03 111.127 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.505 ' CE1' HG21 ' A' ' 62' ' ' VAL . 4.7 p90 -118.77 177.86 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.945 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.17 152.13 34.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 51.33 110.822 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -166.69 138.27 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.91 173.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 72.01 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.512 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -51.66 139.69 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 63.51 110.921 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -132.76 103.81 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 75.35 111.111 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -74.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 62.24 110.893 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.566 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -178.08 158.43 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 64.51 111.124 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -176.82 151.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.797 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.606 ' O ' HG13 ' A' ' 51' ' ' VAL . 58.5 m -70.69 -74.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 73.42 110.873 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -177.24 179.74 47.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 61.14 112.5 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.31 -169.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 73.2 110.82 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -99.36 8.68 44.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 65.51 110.921 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -75.98 -30.84 58.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.808 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.775 ' O ' HG22 ' A' ' 127' ' ' VAL . 11.0 p30 -74.34 -38.33 63.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.898 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -54.75 -24.72 23.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.88 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.07 -34.27 42.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.916 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.775 HG22 ' O ' ' A' ' 124' ' ' ASN . 34.8 m -55.22 -25.15 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 71.35 111.158 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -46.58 90.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 72.44 110.855 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -49.25 33.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 72.1 110.877 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -54.92 34.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.937 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.55 -34.8 59.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 73.25 111.093 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.637 ' HG2' HD12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -52.61 -30.94 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.879 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.63 -32.81 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.02 110.808 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -69.79 -41.97 74.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.42 111.098 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.54 -24.62 62.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 64.25 110.93 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.3 31.8 7.37 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.768 -0.73 . . . . 51.43 112.44 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.637 HD12 ' HG2' ' A' ' 132' ' ' LYS . 20.9 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 70.05 111.18 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.616 ' CG ' HG23 ' A' ' 5' ' ' THR . 18.1 t0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.773 0.321 . . . . 64.25 110.855 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.61 24.15 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.902 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.616 HG23 ' CG ' ' A' ' 3' ' ' ASP . 48.2 p -66.99 168.09 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 61.32 111.174 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 179.96 33.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.93 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -151.11 159.81 44.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 71.4 111.002 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.403 ' OD1' HG12 ' A' ' 127' ' ' VAL . 15.9 t70 -51.64 158.9 0.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.195 -0.457 . . . . 65.33 110.882 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.665 HG12 HG23 ' A' ' 11' ' ' THR . 55.9 t -91.49 142.54 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 61.24 111.15 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -71.52 79.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 64.53 110.881 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.812 ' O ' HG21 ' A' ' 127' ' ' VAL . 19.2 p -128.04 164.91 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 75.23 111.124 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.49 102.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 72.01 110.866 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.0 85.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.792 -0.718 . . . . 52.53 112.518 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -175.76 145.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 40.13 110.831 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -179.31 161.47 1.09 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 71.13 111.017 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.6 p -140.33 115.06 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.066 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 70.37 -70.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 65.55 110.924 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.93 21.76 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.839 -0.696 . . . . 55.52 112.505 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -177.44 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 74.01 110.921 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -116.59 134.63 54.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 64.33 110.932 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.8 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -128.71 165.75 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 73.34 111.007 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -140.34 130.67 25.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.909 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -138.39 150.35 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 63.24 111.165 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -153.3 156.09 37.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 63.13 110.86 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.48 129.23 45.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 64.51 111.118 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.545 ' CE2' HD11 ' A' ' 68' ' ' LEU . 2.4 m-85 -114.38 140.08 48.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.867 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -142.79 138.69 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 60.2 111.07 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.8 132.43 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 62.22 110.873 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 68.13 11.59 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.883 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.96 27.69 25.51 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.743 -0.741 . . . . 60.44 112.465 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -149.65 159.53 44.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.369 . . . . 75.42 110.922 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -54.98 119.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.161 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -107.78 -51.62 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 54.24 110.814 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -130.21 166.68 19.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 72.12 110.931 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.63 100.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 74.34 110.898 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.14 130.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.864 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.515 ' CB ' ' HB2' ' A' ' 23' ' ' ALA . . . -103.43 173.88 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 70.24 111.072 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -157.35 172.35 18.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.873 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 ' HB2' ' A' ' 21' ' ' ALA . 13.4 m -122.44 166.08 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 72.45 111.098 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.56 -143.76 12.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 61.34 112.473 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 34.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 64.03 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -102.17 149.04 36.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.608 0.718 . . . . 72.13 110.877 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.414 ' O ' HG23 ' A' ' 47' ' ' THR . 54.7 Cg_endo -69.73 -49.02 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.704 2.269 . . . . 75.51 112.342 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.647 ' HB1' ' CE1' ' A' ' 95' ' ' PHE . . . -65.09 -42.04 94.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 63.12 111.088 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.66 -14.25 60.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 54.23 111.078 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.67 17.99 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 74.34 111.071 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 43' ' ' PRO . 2.2 p -117.53 -19.24 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.161 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.588 ' O ' HG23 ' A' ' 51' ' ' VAL . 66.2 mmm -94.51 20.31 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 73.44 110.815 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 66.43 -78.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 75.55 110.905 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -155.09 18.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.838 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 48' ' ' MET . 24.7 t -73.8 -48.42 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.15 111.125 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.474 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -65.17 -49.53 69.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 35.24 111.104 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.76 -20.79 62.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 44.53 112.492 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.23 -55.65 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 63.55 110.848 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.62 -30.84 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.23 111.114 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.23 -33.01 4.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.099 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -59.17 -57.83 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 54.11 111.111 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.79 -37.13 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 64.31 111.166 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.579 HD11 ' CD1' ' A' ' 99' ' ' TYR . 7.2 mt -58.02 -67.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.923 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -57.57 -31.96 66.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 73.22 110.985 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -56.73 -39.67 74.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 70.44 111.067 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 58' ' ' ALA . 83.6 t -76.37 -44.25 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.55 111.045 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -51.37 -49.84 60.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.835 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.671 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.87 -31.34 56.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 54.32 110.961 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.31 -35.17 49.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.134 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.0 t -72.53 -28.79 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.904 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -70.27 -38.79 75.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 60.02 110.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -85.36 4.58 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.43 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.29 20.22 43.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.789 -0.719 . . . . 64.1 112.451 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 68' ' ' LEU . 8.5 m -109.89 178.1 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.965 0.412 . . . . 63.34 111.093 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -130.59 -170.93 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 74.11 110.883 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.1 pt -139.56 142.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.23 111.098 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 73.2 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.979 0.419 . . . . 73.32 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.64 -172.2 3.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 51.43 111.092 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.45 -33.69 40.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 64.12 112.458 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.601 HG21 ' CD1' ' A' ' 112' ' ' PHE . 1.2 mp -69.34 -31.62 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 51.31 111.109 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.58 82.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.057 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -24.21 16.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.812 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.664 ' CE3' HG21 ' A' ' 115' ' ' VAL . 12.1 t90 -78.62 -27.41 45.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 75.44 110.912 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.745 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -81.91 -10.94 59.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 44.44 111.182 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.14 111.128 -179.837 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.647 ' CE1' ' HB1' ' A' ' 44' ' ' ALA . 3.5 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.958 0.409 . . . . 73.22 110.861 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.79 -46.86 71.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.141 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.83 -44.74 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.939 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.01 98.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 64.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.579 ' CD1' HD11 ' A' ' 59' ' ' LEU . 19.7 m-85 -53.74 -34.48 59.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 73.13 110.891 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.7 -27.11 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 60.53 111.084 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -74.6 -45.4 45.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.568 ' CD1' HD13 ' A' ' 59' ' ' LEU . 12.0 mt -54.89 -22.9 16.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 70.12 110.93 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.2 ttt -51.8 -66.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 64.2 110.849 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -55.34 -30.6 60.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 75.01 110.885 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -46.14 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 71.24 110.959 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -131.03 35.91 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 74.41 110.943 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.38 128.45 34.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 64.1 110.866 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.6 -20.85 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 43.35 112.523 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.73 -33.58 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 75.55 111.065 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.41 ' CE1' HG11 ' A' ' 62' ' ' VAL . 20.6 p90 -112.46 177.49 4.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 72.14 110.925 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.19 129.1 19.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 62.45 110.808 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.601 ' CD1' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -141.92 173.12 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.895 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.99 148.87 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 63.24 110.839 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.45 101.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.911 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.745 HG23 ' HA ' ' A' ' 85' ' ' ALA . 2.0 p -108.47 150.56 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 62.52 111.062 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -130.49 -75.67 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 75.3 110.872 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.95 136.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 71.04 111.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -158.83 -82.1 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 74.55 110.84 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.4 p 177.44 -175.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 73.12 110.856 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.31 157.13 25.69 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.735 -0.745 . . . . 75.22 112.443 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.28 -77.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 63.34 110.942 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.82 -17.55 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -50.51 -36.99 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 65.31 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.792 ' O ' HG22 ' A' ' 127' ' ' VAL . 0.4 OUTLIER -76.36 -41.2 48.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 64.12 110.934 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.73 -24.67 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 64.41 110.852 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.9 -36.45 48.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.925 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.812 HG21 ' O ' ' A' ' 11' ' ' THR . 34.6 m -56.45 -23.57 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 61.4 111.165 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -62.06 -53.22 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 74.31 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 12.3 ttp -71.57 -32.85 68.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.54 110.883 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.66 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 74.33 110.937 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.82 71.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 53.23 111.069 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -52.05 -34.29 42.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.882 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.6 m -59.33 -41.27 88.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.756 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.54 -42.89 75.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 51.34 111.076 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.44 -24.23 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.902 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.47 41.73 9.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 54.12 112.479 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 52.55 111.133 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.823 0.344 . . . . 64.44 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -165.37 31.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.15 110.852 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 p -50.14 153.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.12 111.096 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 43.4 tp10 -51.52 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.826 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.43 -74.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.918 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -89.76 153.06 20.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.919 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.672 HG12 HG23 ' A' ' 11' ' ' THR . 75.0 t -93.49 146.42 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.51 111.203 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -70.07 79.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 75.33 110.913 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.672 HG23 HG12 ' A' ' 9' ' ' VAL . 82.2 p -135.42 178.31 7.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 72.11 111.135 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 64.07 102.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.85 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.72 -152.15 20.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 65.15 112.489 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.87 146.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 73.33 110.926 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -179.72 156.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 53.12 110.937 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -141.67 113.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.42 111.142 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 70.06 -71.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 70.21 110.824 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.5 26.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 64.1 112.471 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.93 -175.59 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.836 0.35 . . . . 72.11 110.864 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -129.57 135.54 48.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.938 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.16 169.3 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.25 111.17 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -135.92 130.47 33.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 72.1 110.883 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.552 ' O ' HG22 ' A' ' 11' ' ' THR . . . -131.83 166.22 22.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 70.35 111.136 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.83 159.31 26.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 65.04 110.879 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.43 119.9 40.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 63.02 111.099 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.668 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.2 m-85 -106.45 136.84 45.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.84 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 31' ' ' LYS . 4.3 t -148.39 131.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.121 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.65 134.87 52.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 65.3 110.958 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t0 66.39 13.24 9.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.27 -0.423 . . . . 71.14 110.892 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.6 23.43 36.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 72.11 112.425 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.1 ptpt -149.5 161.29 42.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 71.5 110.874 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.99 128.14 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.35 111.107 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -106.44 -59.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.85 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.84 134.46 11.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 71.53 110.883 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -126.85 132.77 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 41.43 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.37 107.91 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 72.11 110.878 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.44 -178.64 7.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 71.41 111.145 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -157.16 148.02 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 75.04 110.827 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 40' ' ' GLY . 21.2 t -113.43 155.33 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 60.04 111.163 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -107.64 -161.07 21.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 34.44 112.522 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.65 33.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 62.41 110.851 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -90.01 154.59 47.45 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.678 0.752 . . . . 75.11 110.9 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 44.45 112.398 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.17 -21.63 64.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 73.14 111.057 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.57 -25.42 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 72.45 111.06 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.67 17.54 19.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 55.04 111.16 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -118.79 -13.5 9.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 70.31 111.217 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 90.6 mmm -95.52 32.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 73.1 110.977 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.554 ' HB2' HG23 ' A' ' 51' ' ' VAL . 1.5 mtt180 63.59 28.13 15.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 70.3 110.913 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 64.0 15.68 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 61.13 110.843 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.554 HG23 ' HB2' ' A' ' 49' ' ' ARG . 95.2 t -72.75 -43.03 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.1 111.14 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.29 -39.29 56.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 72.01 111.102 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.31 -33.57 58.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.745 -0.74 . . . . 71.02 112.488 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.17 -54.29 48.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 54.14 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 mt -67.78 -31.27 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 74.52 111.17 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.436 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -47.29 -42.29 20.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.117 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.07 -48.56 61.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 71.41 111.085 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.4 -40.68 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 61.42 111.131 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.6 mt -58.23 -67.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 71.03 110.846 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.436 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 30.2 m-85 -56.14 -32.43 64.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 65.32 110.957 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.18 83.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 74.34 111.061 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.472 HG21 ' CE1' ' A' ' 110' ' ' TYR . 68.9 t -76.02 -44.49 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 72.45 111.079 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -51.49 -46.63 63.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 53.21 110.946 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.711 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.82 -30.12 56.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 62.23 110.909 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.06 -31.39 30.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 73.11 111.073 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.6 t -76.17 -28.46 57.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 65.23 110.895 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -73.36 -46.85 46.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 70.13 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -75.68 -5.16 44.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 63.43 110.867 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.97 11.77 58.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 71.12 112.446 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 m -97.53 173.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 61.21 111.141 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -138.23 148.5 44.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.943 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.6 pt -100.04 -178.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 73.13 111.077 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.877 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.767 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.876 0.37 . . . . 63.13 110.901 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.01 37.53 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 51.41 111.145 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.87 -76.92 0.4 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 44.21 112.476 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.94 -41.88 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 64.23 111.205 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.767 ' HB3' ' HA ' ' A' ' 78' ' ' TYR . . . -74.26 -23.31 59.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.23 111.124 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -55.3 27.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.908 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.578 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.15 -26.01 36.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.918 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.536 ' HB2' HG12 ' A' ' 115' ' ' VAL . . . -60.13 -19.55 54.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 52.24 111.07 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 82' ' ' ALA . 44.3 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 62.4 111.103 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.922 0.391 . . . . 71.05 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -44.65 93.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 72.43 111.177 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -42.14 49.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 72.35 110.946 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.3 -35.91 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.069 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -54.19 -54.02 45.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.921 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.406 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -55.64 -29.05 58.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.23 111.133 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -49.96 20.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 61.2 110.902 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.626 ' CD1' HD13 ' A' ' 59' ' ' LEU . 59.6 mt -61.64 -18.11 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.925 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -66.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 65.25 110.858 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -54.47 -32.32 57.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 51.33 110.906 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -48.99 53.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 72.34 110.893 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -124.04 31.83 5.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 75.21 110.898 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 133.25 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 72.22 110.914 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.66 -19.63 0.69 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.652 -0.785 . . . . 63.44 112.399 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.1 -33.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 54.23 111.153 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.472 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.4 p90 -125.5 178.07 5.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 73.01 110.885 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -167.42 161.65 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.851 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -156.73 172.35 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.818 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -170.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 70.12 110.856 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -75.94 68.03 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 73.13 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.1 m -56.88 120.7 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.1 111.115 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -112.36 -75.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.889 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.578 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -179.77 139.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 62.15 111.112 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -159.75 153.45 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.41 110.853 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -75.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 52.25 110.861 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 167.13 167.17 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 64.41 112.537 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -174.71 -161.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.744 0.307 . . . . 62.15 110.919 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.41 8.67 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.91 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -50.17 -36.94 32.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 73.12 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.819 ' O ' HG22 ' A' ' 127' ' ' VAL . 14.9 p-10 -76.56 -39.93 51.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.877 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.59 -24.56 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 63.1 110.859 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -59.72 -44.54 93.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.45 . . . . 70.33 110.877 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 124' ' ' ASN . 6.0 m -55.87 -21.2 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 72.31 111.18 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.14 -47.24 85.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 62.44 110.87 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 13.6 ttp -72.97 -44.54 60.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -53.68 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.01 110.889 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.06 -34.06 54.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 74.22 111.083 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -30.93 33.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.865 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.07 -37.53 38.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 75.54 110.801 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 6' ' ' GLU . . . -64.43 -42.87 95.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 71.41 111.094 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER -64.65 -49.97 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.11 110.926 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.6 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 120.49 82.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 74.1 112.556 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 72.11 111.126 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.833 0.349 . . . . 74.22 110.874 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -106.86 20.08 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -94.47 159.85 14.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.107 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -179.35 50.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 63.23 110.872 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -131.87 -86.89 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.901 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -153.56 156.15 37.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 65.21 110.824 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.569 HG12 HG23 ' A' ' 11' ' ' THR . 47.4 t -100.75 139.37 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 75.44 111.076 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.603 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 33.7 t80 -72.62 78.27 1.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.905 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.616 ' O ' HG21 ' A' ' 127' ' ' VAL . 2.8 p -120.02 178.38 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 41.44 111.183 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.43 90.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 53.01 110.93 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.68 -93.63 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 65.34 112.504 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 p -176.99 -75.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 72.15 110.888 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 p90 179.48 172.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.96 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.0 p -141.68 109.93 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 73.5 111.123 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 69.69 -71.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 64.43 110.853 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.45 20.52 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 74.41 112.464 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.2 -176.25 3.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 62.54 110.903 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -110.81 134.44 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 60.23 110.985 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.627 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -121.01 171.93 8.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 61.33 111.031 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -155.7 130.49 9.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.647 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -129.75 175.65 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 62.41 111.141 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.31 171.27 20.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 63.2 110.924 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . . . -115.85 126.97 54.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 53.32 111.162 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -110.07 139.96 44.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 72.15 110.905 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.4 t -144.17 132.03 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 73.52 111.137 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.55 132.55 49.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 70.15 110.858 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 67.58 11.88 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 74.13 110.837 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.75 26.13 23.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 63.42 112.462 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.8 ptpt -149.47 162.36 40.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 75.41 110.88 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.51 120.9 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 70.24 111.152 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -107.71 -48.55 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.893 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.04 177.51 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.909 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.38 111.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.888 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.22 -176.93 1.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.934 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.647 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -155.69 172.67 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 72.34 111.089 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -153.98 168.35 26.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 55.35 110.914 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 21' ' ' ALA . 21.4 m -118.54 156.92 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.41 111.108 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.17 151.15 18.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.691 -0.766 . . . . 74.11 112.475 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 47.47 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 73.43 110.916 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -94.94 156.42 38.01 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 54.34 110.886 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -42.68 3.15 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.743 2.295 . . . . 75.41 112.306 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.63 -31.66 59.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 70.4 111.054 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.58 -52.05 10.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 13.52 111.082 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.99 -39.79 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 74.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -41.77 78.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 73.53 111.119 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.434 ' HE3' ' HB3' ' A' ' 48' ' ' MET . 10.4 mmm -118.48 59.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 55.24 110.87 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.95 161.52 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.877 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.5 t30 72.38 -69.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.867 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 119' ' ' SER . 99.7 t -52.31 -46.4 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 70.32 111.114 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.89 -27.24 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.092 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.14 -51.63 42.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 72.02 112.431 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.67 -43.1 72.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 74.14 110.898 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 51' ' ' VAL . 6.9 mt -73.77 -32.46 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 63.43 111.123 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.29 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 32.31 111.092 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.97 -47.21 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 52.1 111.059 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.64 -40.83 63.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.24 111.077 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.7 mt -56.91 -67.03 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.414 . . . . 75.21 110.892 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -57.39 -36.18 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 65.34 110.952 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.54 -38.58 78.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 70.03 111.078 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 58' ' ' ALA . 87.1 t -76.13 -45.29 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 61.53 111.089 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -51.93 -45.93 64.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.891 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 68' ' ' LEU . 8.6 mttt -76.29 -31.42 58.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.293 -0.412 . . . . 62.01 110.859 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.8 -31.77 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.34 111.133 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.475 ' HB2' HD12 ' A' ' 109' ' ' ILE . 6.5 t -76.3 -33.78 59.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 72.14 110.906 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -63.97 -40.53 96.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 54.44 110.903 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.3 mp -83.81 2.43 38.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.846 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.73 21.6 36.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 72.23 112.485 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 68' ' ' LEU . 5.6 m -112.01 -179.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 72.02 111.087 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.84 157.46 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.883 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.8 pt -99.57 179.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.45 111.177 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.84 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.939 0.399 . . . . 34.1 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.07 174.19 5.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 74.44 111.16 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.95 -23.88 32.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 71.54 112.51 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.64 -46.35 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 75.12 111.139 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.645 ' HB2' ' HE1' ' A' ' 112' ' ' PHE . . . -71.86 -26.11 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 54.11 111.053 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -56.84 -56.56 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 75.44 110.928 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.95 -17.79 45.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 75.24 110.928 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.534 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -54.1 -24.16 16.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 54.02 111.162 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 74.32 111.161 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.6 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.897 0.38 . . . . 74.33 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.458 HG21 ' H ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.57 -34.81 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.217 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 15.4 mt-30 -65.0 -41.28 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.924 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.11 -32.95 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.35 111.145 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.444 ' HD1' HD21 ' A' ' 59' ' ' LEU . 74.1 t80 -53.51 -54.48 36.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.919 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -54.47 -30.53 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 64.33 111.041 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -74.64 -45.53 44.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 64.52 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.527 ' CD1' HD13 ' A' ' 59' ' ' LEU . 85.9 mt -66.93 -22.52 65.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.899 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.8 ttt -55.34 -67.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 54.51 110.877 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -55.84 -30.34 61.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.85 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -43.95 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.919 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.99 36.82 3.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.9 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 162.76 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.953 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.32 -51.87 0.81 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 62.42 112.462 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -76.87 -27.76 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 72.22 111.139 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -128.93 177.53 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.971 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 m -155.51 161.72 40.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 74.05 110.846 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.645 ' HE1' ' HB2' ' A' ' 82' ' ' ALA . 1.6 m-85 -170.51 170.5 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.43 110.838 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.46 172.48 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 71.32 110.912 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -70.03 83.34 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 70.4 110.871 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 100' ' ' ALA . 3.8 m -62.33 149.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 63.22 111.098 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -129.27 -73.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 63.15 110.922 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.424 ' HB2' ' HG2' ' A' ' 97' ' ' GLN . . . 178.23 97.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 62.14 111.096 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.458 ' H ' HG21 ' A' ' 96' ' ' THR . 19.7 t-80 -176.26 152.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 63.25 110.847 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.642 ' HB3' HG13 ' A' ' 51' ' ' VAL . 1.3 m -177.12 160.09 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.01 110.916 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.37 82.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 53.12 112.484 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -179.84 177.0 0.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.754 0.311 . . . . 73.33 110.909 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -95.28 3.62 54.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 65.24 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -52.15 -29.56 22.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.792 ' O ' HG22 ' A' ' 127' ' ' VAL . 5.3 p-10 -77.07 -49.44 15.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 70.14 110.879 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.87 -24.13 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 63.34 110.871 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -52.07 -28.93 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.971 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.792 HG22 ' O ' ' A' ' 124' ' ' ASN . 22.1 m -57.4 -20.24 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 64.43 111.144 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -59.08 -52.82 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.826 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -40.43 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.891 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -53.33 59.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 71.33 110.976 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.92 -34.39 55.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 54.44 111.111 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -52.57 -39.09 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 71.23 110.88 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -32.38 44.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 75.12 110.822 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.91 74.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 33.43 111.093 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -83.13 -46.94 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 55.13 110.95 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.586 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 117.65 88.45 1.3 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.758 -0.734 . . . . 35.54 112.501 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 42.4 mm . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 63.05 111.135 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.89 0.376 . . . . 74.1 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -116.14 23.13 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.12 110.945 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 p -62.74 149.74 43.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 53.51 111.146 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.11 -53.67 6.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.878 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 179.61 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.91 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -82.73 165.12 20.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.862 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.654 HG12 HG23 ' A' ' 11' ' ' THR . 67.8 t -111.43 142.96 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.12 111.151 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.34 79.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.2 110.904 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.654 HG23 HG12 ' A' ' 9' ' ' VAL . 24.0 p -122.53 178.76 4.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 74.34 111.17 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.73 85.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 61.45 110.856 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.92 85.79 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 42.12 112.473 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.39 141.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 74.23 110.808 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -179.34 161.67 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.501 . . . . 73.05 110.971 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.7 p -135.51 115.55 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 65.22 111.14 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 70.35 -70.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 71.03 110.84 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.24 22.43 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 50.13 112.515 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.98 -177.91 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 72.15 110.904 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -109.82 134.59 51.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 70.11 110.879 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.979 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -134.2 173.13 11.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 55.33 111.09 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 -144.13 130.41 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.901 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -138.11 132.68 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 72.51 111.086 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -136.58 144.89 44.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.963 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.31 129.3 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 33.4 111.085 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE2' HD11 ' A' ' 68' ' ' LEU . 2.0 m-85 -117.32 128.14 54.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.54 110.833 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -150.46 109.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.51 111.167 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 142.77 47.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.873 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t0 73.72 6.73 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.843 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.01 26.7 28.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 71.44 112.491 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -149.92 162.68 39.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 72.24 110.833 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.96 114.36 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 63.21 111.112 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -95.79 -39.55 9.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 72.51 110.837 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 -179.19 5.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.87 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.14 -177.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 73.1 110.875 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.39 164.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 64.23 110.866 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 23' ' ' ALA . . . -128.66 -173.51 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.12 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -153.38 156.77 38.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 51.35 110.897 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.979 HG12 ' HB2' ' A' ' 21' ' ' ALA . 25.7 m -112.47 172.74 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 54.32 111.074 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.63 -152.38 10.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.796 -0.716 . . . . 72.31 112.51 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 34.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 73.12 110.933 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.95 151.88 38.02 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.629 0.728 . . . . 75.41 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.91 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 64.11 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.84 -24.85 62.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 72.42 111.12 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.18 -57.15 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 51.43 111.144 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.12 -38.82 71.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 44.12 111.126 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -57.87 -24.38 57.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 62.01 111.162 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.1 mtp -95.15 17.67 13.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.846 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 69.85 -73.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.845 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -162.74 22.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 62.4 110.947 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 48' ' ' MET . 32.4 t -74.4 -50.88 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.097 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.516 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -63.65 -40.59 97.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 72.21 111.046 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.04 -24.46 35.24 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.798 -0.715 . . . . 54.2 112.484 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -73.46 -54.42 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 75.43 110.934 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.477 HG21 ' CG ' ' A' ' 99' ' ' TYR . 10.9 mt -69.51 -31.62 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.1 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.66 -31.93 7.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 70.31 111.067 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.62 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 64.43 111.106 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.6 -31.69 37.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 74.44 111.062 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.54 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.3 mt -61.68 -67.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 60.32 110.932 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.27 -30.56 66.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.96 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -59.63 -40.23 86.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 72.23 111.13 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.481 HG21 ' CE1' ' A' ' 110' ' ' TYR . 91.7 t -76.17 -45.29 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.127 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -53.51 -48.14 69.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.904 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.708 ' O ' HD12 ' A' ' 68' ' ' LEU . 15.5 mmtt -76.85 -30.63 56.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 74.41 110.927 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -51.93 -35.33 45.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 61.44 111.056 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.422 ' HB2' HD12 ' A' ' 109' ' ' ILE . 4.1 t -70.34 -28.48 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 71.21 110.845 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -73.93 -39.88 63.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 64.34 110.941 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -86.47 -6.64 58.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.13 35.18 41.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 53.42 112.513 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 68' ' ' LEU . 22.9 m -107.91 -32.65 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 65.22 111.094 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.87 -169.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 73.52 110.863 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 pt -142.42 179.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.31 111.097 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.857 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 121.012 0.434 . . . . 44.11 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.71 -169.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 73.33 111.113 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.437 ' HA3' ' ND2' ' A' ' 124' ' ' ASN . . . -70.99 -14.62 73.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 41.13 112.543 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.1 mm -80.08 -45.91 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 72.53 111.113 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.688 ' O ' HG23 ' A' ' 86' ' ' THR . . . -74.66 -35.91 62.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 51.51 111.075 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.7 -48.57 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.54 110.844 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.428 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -80.58 -30.09 36.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.1 110.914 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.03 -14.27 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 43.42 111.101 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 82' ' ' ALA . 62.3 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 62.23 111.205 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.953 0.406 . . . . 72.53 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -24.46 11.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.11 111.135 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -47.32 -50.19 22.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.32 83.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.176 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.516 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 10.9 m-85 -54.37 -42.09 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.926 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -65.95 -28.1 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 62.24 111.055 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -73.95 -47.61 36.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.14 110.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.54 ' CD1' HD13 ' A' ' 59' ' ' LEU . 71.4 mt -54.9 -21.48 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 63.15 110.97 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -66.26 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 63.34 110.879 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -53.27 -32.63 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.929 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -49.13 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 73.1 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -121.5 31.02 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 64.54 110.877 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.94 130.14 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 70.43 110.872 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.05 -21.22 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 71.25 112.555 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.21 -33.82 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.797 0.332 . . . . 63.3 111.067 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.481 ' CE1' HG21 ' A' ' 62' ' ' VAL . 6.3 p90 -120.56 178.25 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 70.41 110.945 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.43 156.13 37.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 75.02 110.902 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -164.61 167.67 18.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 62.5 110.835 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -176.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.961 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 81.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 71.2 110.891 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.458 HG23 ' HB1' ' A' ' 100' ' ' ALA . 5.8 m -64.02 131.86 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 70.21 111.111 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.8 mmtt -145.44 -79.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.848 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.428 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 177.93 119.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 75.31 111.053 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -147.28 -78.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 54.5 110.851 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 p 178.64 -175.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 62.23 110.912 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 169.26 137.39 2.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.805 -0.712 . . . . 72.45 112.509 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.32 -75.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.793 0.33 . . . . 73.24 110.877 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -84.0 -31.42 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.879 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -51.02 -35.65 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 62.31 110.878 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.83 ' O ' HG22 ' A' ' 127' ' ' VAL . 0.5 OUTLIER -76.28 -42.39 45.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.862 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -51.55 -24.22 5.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 71.41 110.923 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -51.79 -34.7 41.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 73.53 110.924 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 124' ' ' ASN . 28.6 m -56.46 -23.47 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 71.23 111.082 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -56.1 -51.66 67.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.88 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -49.21 37.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.945 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -36.19 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.869 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.71 64.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 55.35 111.164 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -51.87 -32.49 32.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 72.23 110.888 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.2 t -77.63 -32.31 53.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 60.45 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.88 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 64.05 111.081 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.84 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 53.13 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 137.54 38.19 0.14 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 72.12 112.463 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.3 mm . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 72.32 111.164 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.8 0.333 . . . . 72.54 110.843 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -149.73 18.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.859 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.6 p -80.01 179.67 7.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.46 . . . . 73.14 111.151 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -174.4 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -51.77 163.89 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.911 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.49 155.16 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.956 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.738 HG12 HG23 ' A' ' 11' ' ' THR . 62.5 t -90.59 143.12 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 64.02 111.103 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -70.65 78.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.764 ' O ' HG21 ' A' ' 127' ' ' VAL . 39.5 p -130.65 178.19 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 54.52 111.129 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.31 94.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.899 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.06 -158.08 30.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.807 -0.711 . . . . 72.32 112.562 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p 65.63 149.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 71.34 110.899 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -179.47 137.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.966 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.66 122.5 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 45.21 111.126 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 t30 62.28 -82.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 72.13 110.905 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.37 22.03 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 61.51 112.47 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 -178.02 4.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 70.12 110.925 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -133.14 134.59 44.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.969 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.74 165.52 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 52.1 111.14 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.443 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 10.7 p90 -130.47 154.28 47.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 72.11 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.538 ' O ' HG22 ' A' ' 11' ' ' THR . . . -150.42 160.84 43.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 61.54 111.014 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.436 ' HB3' HG22 ' A' ' 11' ' ' THR . 1.4 p90 -159.54 150.61 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.916 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.51 125.84 48.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 72.02 111.079 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.3 m-85 -109.08 140.28 42.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 63.41 110.932 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.4 t -143.54 126.3 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 51.13 111.209 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -123.81 137.55 54.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 73.32 110.864 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.46 13.03 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 55.42 110.869 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.31 15.89 58.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 71.22 112.482 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -138.85 166.0 25.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.745 0.307 . . . . 73.31 110.949 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.63 121.63 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 73.42 111.121 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -107.67 -51.71 2.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 71.52 110.86 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.1 172.45 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.24 110.921 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.98 111.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 71.33 110.842 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -178.6 162.4 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.859 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 22' ' ' TRP . . . -132.19 166.87 20.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 41.42 111.124 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -135.91 145.3 46.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 64.44 110.867 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.3 t -110.2 155.5 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 64.13 111.105 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -111.88 -162.96 16.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 64.33 112.505 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 44.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 51.02 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -108.75 155.66 40.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 75.44 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.4 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.244 . . . . 65.4 112.325 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.48 ' HB1' ' CD1' ' A' ' 95' ' ' PHE . . . -54.02 -27.28 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 70.24 111.095 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.2 -52.68 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 43.13 111.083 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.7 -24.07 46.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 72.13 111.039 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.495 HG21 ' CZ ' ' A' ' 95' ' ' PHE . 11.6 t -70.63 -9.95 58.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 74.51 111.143 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.35 25.49 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 72.25 110.872 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 64.31 -82.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 53.5 110.887 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -153.78 19.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 43.24 110.897 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.46 -40.58 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 63.44 111.127 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.623 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -76.36 -24.21 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 54.11 111.081 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.6 -20.52 78.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 74.13 112.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.15 -36.46 66.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 75.44 110.928 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.541 HD13 ' CD2' ' A' ' 99' ' ' TYR . 5.5 mt -76.45 -31.43 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 63.13 111.043 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.401 ' HA ' ' HG ' ' A' ' 59' ' ' LEU . . . -48.68 -31.49 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 63.43 111.1 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.29 -53.29 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.107 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.65 -38.16 59.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 53.02 111.09 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 102' ' ' LEU . 10.0 mt -52.47 -67.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.911 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -65.85 -34.07 77.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 45.14 110.879 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.04 -41.45 75.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 44.53 111.15 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 58' ' ' ALA . 87.0 t -76.45 -47.24 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.18 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -51.06 -49.68 60.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 63.14 110.924 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.719 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -70.67 -28.5 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 61.31 110.909 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . -52.72 -32.78 44.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 72.1 111.114 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.421 ' HB2' HD12 ' A' ' 109' ' ' ILE . 5.6 t -75.9 -28.58 58.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.869 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.21 -41.1 74.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 60.14 110.948 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.5 mp -81.08 -0.49 40.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 61.14 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.75 23.58 58.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.799 -0.715 . . . . 44.55 112.505 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 68' ' ' LEU . 7.4 m -111.4 -172.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 62.14 111.135 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -138.35 149.77 45.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 53.45 110.942 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.7 pt -100.39 -178.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 41.21 111.124 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 73.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.885 0.374 . . . . 64.4 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.4 -169.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 61.13 111.1 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -80.96 -31.81 34.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.798 -0.715 . . . . 64.43 112.497 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.575 HG21 ' CD2' ' A' ' 112' ' ' PHE . 1.8 mp -57.26 -45.98 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 71.35 111.126 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.463 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . . . -76.91 -8.17 56.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.23 111.12 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -79.29 -56.16 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -19.38 42.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.978 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.557 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -54.3 -36.92 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 42.24 111.171 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 50.15 111.141 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.495 ' CZ ' HG21 ' A' ' 47' ' ' THR . 10.3 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.923 0.392 . . . . 62.3 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.475 HG21 ' H ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.56 -32.42 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 63.53 111.187 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -52.42 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.15 110.848 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.87 73.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 24.41 111.126 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.623 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 20.3 m-85 -53.11 -44.68 67.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.939 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.489 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -63.02 -31.64 72.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.512 . . . . 62.33 111.068 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -74.66 -44.67 49.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 63.53 110.879 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 59' ' ' LEU . 3.7 mt -54.26 -21.29 8.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.883 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -66.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -53.88 -30.65 46.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 75.53 110.865 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.32 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 54.42 110.905 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.43 ' CD1' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -115.57 25.74 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.915 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -76.68 126.71 31.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 74.14 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 159.0 -22.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 55.0 112.521 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.421 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.89 -33.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 71.41 111.079 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -117.48 178.23 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.891 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.2 t -148.92 161.35 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 44.21 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.575 ' CD2' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -176.2 173.02 2.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 73.35 110.884 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.06 164.89 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 73.25 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -51.59 148.65 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 70.24 110.953 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -132.54 137.11 54.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 65.32 111.105 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -113.93 -78.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.941 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 178.57 119.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.042 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.475 ' H ' HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER 178.6 155.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.829 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 p -179.7 -175.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 63.33 110.784 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 103.2 71.69 0.88 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 60.22 112.469 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.82 -167.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.311 . . . . 72.51 110.887 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.59 11.84 30.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.33 110.858 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -49.52 -28.66 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.757 ' O ' HG22 ' A' ' 127' ' ' VAL . 8.0 p30 -75.52 -41.65 54.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.77 -24.52 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 71.52 110.871 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.42 -38.76 59.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 75.33 110.929 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.764 HG21 ' O ' ' A' ' 11' ' ' THR . 22.0 m -56.19 -22.05 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 62.33 111.098 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -50.03 73.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 64.5 110.817 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 11.6 ttp -72.34 -42.21 65.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 44.13 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -54.06 48.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.45 110.867 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.46 -34.14 56.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.1 111.109 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.48 -31.38 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.885 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.7 m -75.23 -35.56 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 65.02 110.784 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.59 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 71.53 111.121 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.0 mt -74.67 -61.32 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.952 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 130.09 39.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 73.24 112.515 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.5 mm . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 70.01 111.168 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.835 0.35 . . . . 73.53 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -162.95 32.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.883 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 p -49.93 155.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 60.4 111.146 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 2.0 mm-40 -51.27 -72.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.949 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -167.98 -67.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.13 110.911 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -92.74 155.62 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 63.21 110.896 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.08 143.31 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 62.45 111.102 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' HB2' ' HB1' ' A' ' 131' ' ' ALA . 69.6 t80 -70.24 79.19 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 73.45 110.928 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.795 HG22 ' HB1' ' A' ' 57' ' ' ALA . 1.4 p -117.07 178.53 4.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 70.03 111.144 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 51.74 30.36 6.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 61.21 110.87 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.72 79.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 61.12 112.447 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.566 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 17.7 p -179.32 104.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.846 0.355 . . . . 65.12 110.839 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -162.39 164.29 27.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.934 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.55 123.05 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 72.21 111.129 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 t30 62.56 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 61.53 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.44 18.4 1.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 75.34 112.458 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -90.78 -175.79 4.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.876 0.369 . . . . 74.21 110.932 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -137.0 134.52 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 72.22 110.957 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.74 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -136.73 156.52 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.15 111.116 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 70.4 p-90 -123.57 130.36 52.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.911 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.663 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -159.98 145.61 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.15 111.181 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 61' ' ' ALA . 4.9 p90 -137.29 175.35 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 64.45 110.951 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.57 146.92 26.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 63.34 111.084 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.78 140.17 51.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.802 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 31' ' ' LYS . 6.0 t -151.48 133.52 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 45.13 111.124 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -128.65 135.3 49.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 71.43 110.897 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.52 12.18 8.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.888 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.75 22.79 35.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 51.54 112.508 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.9 ptpt -149.76 159.26 44.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.808 0.337 . . . . 74.5 110.956 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -54.94 129.15 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.13 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -105.56 -53.15 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.783 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.09 -173.9 3.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 63.35 110.959 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.34 107.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 75.43 110.857 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.47 -177.98 1.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.903 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB1' ' HB2' ' A' ' 23' ' ' ALA . . . -168.95 -175.37 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 73.15 111.111 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.95 151.57 23.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.892 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.74 HG13 ' HB2' ' A' ' 21' ' ' ALA . 22.5 t -118.78 155.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 71.14 111.097 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -114.08 162.5 12.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 31.33 112.456 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 42.39 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 74.45 110.94 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -92.55 154.77 42.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 55.1 110.908 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.479 ' O ' HG22 ' A' ' 47' ' ' THR . 53.9 Cg_endo -69.75 -48.49 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.722 2.281 . . . . 72.2 112.384 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HB1' ' CE2' ' A' ' 95' ' ' PHE . . . -57.67 -24.49 56.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 62.22 111.064 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.87 -48.5 6.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 74.54 111.105 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.48 62.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 61.21 111.11 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 43' ' ' PRO . 3.0 t -58.27 -21.79 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.22 111.107 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.88 21.25 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 65.52 110.823 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 66.24 -77.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 53.24 110.915 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -159.56 22.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 73.45 110.913 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -73.52 -51.05 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 72.34 111.1 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -58.38 -27.41 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 53.55 111.109 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.21 -20.75 78.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 74.33 112.475 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -70.27 -54.92 10.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.852 0.358 . . . . 73.32 110.874 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.5 HG22 HD21 ' A' ' 59' ' ' LEU . 5.6 mt -67.32 -31.31 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 75.12 111.222 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.61 -50.52 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.53 111.118 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.795 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -50.44 -53.35 30.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.091 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -51.94 -32.37 32.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 75.4 111.156 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.5 HD21 HG22 ' A' ' 55' ' ' ILE . 6.2 mt -66.29 -67.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.933 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.431 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 32.6 m-85 -58.33 -26.23 62.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 73.15 110.973 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . . . -66.6 -38.47 87.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 61.22 111.085 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 58' ' ' ALA . 96.6 t -76.28 -36.77 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 45.11 111.162 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -60.24 -45.37 93.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.905 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.753 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.1 tptt -75.94 -30.24 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 72.31 110.962 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.07 -36.82 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 75.43 111.126 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.416 ' HB2' HD12 ' A' ' 109' ' ' ILE . 7.2 t -71.15 -28.79 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.816 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -73.14 -47.69 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.51 110.946 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 64' ' ' LYS . 2.2 mp -73.78 -7.73 53.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.924 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.93 25.53 72.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 72.4 112.449 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 m -110.24 -171.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 74.13 111.187 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -133.27 -179.55 5.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.879 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.5 pt -142.13 -179.38 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 72.33 111.119 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.883 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.895 0.379 . . . . 71.32 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.28 -179.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 74.43 111.08 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.74 -11.0 72.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.757 . . . . 73.24 112.485 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.651 HG21 ' CD2' ' A' ' 112' ' ' PHE . 1.8 mp -61.42 -46.44 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.359 . . . . 72.15 111.126 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.28 -5.77 55.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 63.11 111.143 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -85.56 -55.24 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 72.04 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -21.67 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 74.35 110.905 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -48.29 -31.66 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 44.14 111.087 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 62.13 111.137 -179.87 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.967 0.413 . . . . 64.22 110.892 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -26.49 9.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 62.02 111.076 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -45.37 46.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 74.13 110.929 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.7 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 71.42 111.087 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.513 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 21.1 m-30 -53.94 -38.09 64.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.965 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.4 67.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 61.13 111.075 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -74.18 -45.47 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.44 110.907 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 59' ' ' LEU . 8.4 mt -52.0 -23.38 5.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 63.13 110.901 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.1 ttp -51.97 -66.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 63.22 110.847 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -54.87 -31.36 59.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 64.34 110.875 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -40.9 41.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.961 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -134.15 32.55 3.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.881 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 127.41 32.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.873 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.21 -22.19 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 65.31 112.457 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -104.0 -31.67 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 51.21 111.103 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -120.67 177.64 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.955 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -154.15 161.13 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.848 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.651 ' CD2' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -176.48 171.21 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 75.5 110.844 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 163.87 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 54.21 110.913 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.582 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -50.75 132.04 26.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.894 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.63 123.9 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.118 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 11.1 mttt -107.75 -78.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 70.01 110.932 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 177.96 153.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 75.55 111.093 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.82 -168.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.783 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 m -92.53 -169.06 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 24.11 110.846 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.23 -170.59 46.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 50.11 112.509 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.89 -177.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 71.03 110.924 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -98.71 -7.48 27.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.941 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -54.13 -29.55 45.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 74.01 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.74 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.7 p30 -71.56 -36.3 70.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 64.44 110.844 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.51 -25.0 50.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 71.51 110.804 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.8 -35.77 57.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 65.43 110.936 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 124' ' ' ASN . 21.8 m -56.09 -21.12 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 72.34 111.105 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -60.6 -49.79 76.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 75.33 110.868 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttm -72.64 -40.66 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 74.2 110.867 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -54.52 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 71.01 110.951 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -53.74 -34.93 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 53.13 111.122 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -52.29 -35.28 49.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 65.5 110.88 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 62.9 m -72.2 -32.25 66.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 60.21 110.869 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . -64.14 -42.8 96.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 74.21 111.069 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER -71.3 -50.38 33.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.924 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.611 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 125.53 85.53 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 74.52 112.47 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.493 HD11 HD22 ' A' ' 135' ' ' LEU . 30.0 mm . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.35 . . . . 75.32 111.173 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.845 0.355 . . . . 73.2 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -159.52 26.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.861 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -59.07 150.42 24.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 73.34 111.126 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 1.6 mm-40 -51.34 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.473 . . . . 72.11 110.939 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -179.15 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.938 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.422 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 1.1 t0 -63.41 134.2 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 71.03 110.866 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 11' ' ' THR . 55.4 t -91.47 141.35 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 71.13 111.081 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -68.69 85.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 73.14 110.936 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.586 ' O ' HG21 ' A' ' 127' ' ' VAL . 8.8 p -128.24 178.4 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 74.14 111.198 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER 52.37 88.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 61.52 110.855 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.34 86.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.757 . . . . 72.3 112.446 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.33 126.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.996 0.427 . . . . 52.32 110.8 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -179.23 156.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.954 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.7 p -137.67 116.05 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 73.14 111.143 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 70.53 -70.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 65.44 110.829 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.02 20.69 0.36 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.695 -0.764 . . . . 64.13 112.447 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.53 -179.17 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 64.13 110.959 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -136.81 134.78 37.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 64.05 110.937 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.731 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -136.75 158.86 43.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.34 111.153 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -124.92 130.11 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 74.3 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.1 136.8 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 55.33 111.096 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.7 p90 -128.25 178.51 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 62.35 110.909 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' H ' HG13 ' A' ' 9' ' ' VAL . . . -105.74 146.29 30.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 61.22 111.135 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.41 140.76 35.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 72.12 110.895 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 31' ' ' LYS . 12.8 t -150.23 135.06 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 55.31 111.156 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -128.15 133.88 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 71.15 110.855 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t0 69.04 10.48 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.852 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.42 20.75 34.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 55.13 112.522 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.6 ptpt -149.61 155.08 39.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 51.4 110.869 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.06 108.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 71.32 111.125 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -68.9 -59.4 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 62.21 110.85 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -142.21 175.18 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.886 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.61 118.88 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 74.01 110.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.74 142.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.833 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.94 -168.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 72.32 111.109 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -156.63 153.95 29.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.877 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.731 HG13 ' HB2' ' A' ' 21' ' ' ALA . 21.5 t -125.07 155.42 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.14 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -126.71 157.79 20.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 52.43 112.45 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.14 31.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.756 0.312 . . . . 61.42 110.857 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -77.8 154.64 80.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.556 0.693 . . . . 73.23 110.866 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' O ' HG22 ' A' ' 47' ' ' THR . 53.6 Cg_endo -69.83 -47.93 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.685 2.256 . . . . 62.53 112.371 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.65 -27.09 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 61.15 111.052 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.34 -45.29 8.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 70.41 111.182 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.97 -36.98 65.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 72.42 111.166 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 43' ' ' PRO . 4.2 t -63.62 -16.46 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.13 111.146 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.52 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.1 mtm -107.7 18.92 20.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 52.3 110.857 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 63.99 -83.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 64.12 110.829 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -148.45 15.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 73.53 110.913 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 48' ' ' MET . 21.4 t -73.19 -30.83 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.225 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB2' ' HE2' ' A' ' 48' ' ' MET . . . -75.87 -52.08 11.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 60.43 111.095 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.32 -20.74 37.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 63.42 112.55 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 12' ' ' ASP . 33.8 mt-10 -72.44 -54.96 7.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.778 0.323 . . . . 65.22 110.847 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mt -74.14 -32.32 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.01 111.095 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HA ' ' HG ' ' A' ' 59' ' ' LEU . . . -51.31 -33.54 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.095 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.63 83.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 72.3 111.061 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -51.64 -31.92 27.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.14 111.155 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.639 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.7 mt -65.24 -60.56 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 64.02 110.969 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -61.49 -34.34 75.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 71.3 110.924 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -62.42 -38.77 90.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.0 111.055 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 58' ' ' ALA . 54.0 t -76.25 -45.71 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 64.02 111.158 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -53.17 -46.86 69.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.924 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.773 ' O ' HD12 ' A' ' 68' ' ' LEU . 8.7 mmtt -77.26 -32.37 55.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.903 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -50.83 -37.61 44.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.123 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB2' HD12 ' A' ' 109' ' ' ILE . 11.1 t -70.78 -28.78 64.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.843 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -74.87 -45.63 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.773 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.6 mp -76.58 -4.72 44.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.965 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.9 19.27 73.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.69 -0.766 . . . . 75.45 112.567 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 m -110.27 157.87 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 71.4 111.133 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.92 -169.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.852 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -145.07 -179.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.2 111.145 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.872 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.972 0.415 . . . . 64.34 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . . . -56.5 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 62.33 111.074 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.94 -20.76 72.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 30.13 112.517 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 mm -58.71 -20.44 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 72.43 111.177 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 86' ' ' THR . . . -70.5 -36.14 73.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.11 111.165 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -71.92 -39.44 69.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.04 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.513 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 2.4 t90 -78.15 -39.11 42.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.889 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.39 -29.66 16.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 70.32 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 82' ' ' ALA . 19.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.13 111.086 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.962 0.41 . . . . 64.25 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -53.2 -26.91 19.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 65.51 111.095 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -52.46 30.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 74.51 110.873 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.4 -42.56 64.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 73.4 111.101 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -52.74 -36.18 57.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.25 110.96 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.602 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -72.05 -28.36 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 75.34 111.117 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -74.89 -42.33 58.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 71.1 110.858 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.639 ' CD1' HD13 ' A' ' 59' ' ' LEU . 56.6 mt -54.71 -22.24 13.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 62.54 110.896 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 ttp -51.31 -66.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 52.33 110.903 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -56.94 -29.52 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 70.05 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -48.19 62.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 74.52 110.934 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.423 ' OH ' HD22 ' A' ' 59' ' ' LEU . 1.6 p90 -127.07 36.31 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.926 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.09 163.57 27.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 71.44 110.904 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.47 -55.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.814 -0.708 . . . . 62.41 112.418 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.417 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -69.28 -31.31 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 72.44 111.122 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 62' ' ' VAL . 9.9 p90 -126.33 177.94 6.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.458 . . . . 71.24 110.946 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.8 148.62 28.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 72.23 110.899 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -159.12 164.53 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 44.22 110.88 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.7 -176.16 6.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 62.5 110.95 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -50.67 161.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 51.11 110.928 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.602 HG23 ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -151.7 126.18 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 72.12 111.171 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.7 OUTLIER -102.88 -78.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 70.35 110.982 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.513 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 175.82 165.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 52.03 111.093 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 54.23 -166.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m 67.72 128.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.811 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.07 99.58 0.82 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.767 -0.73 . . . . 61.51 112.56 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.72 -68.35 0.61 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.74 0.305 . . . . 74.31 110.917 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -102.02 -33.91 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.935 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -51.26 -31.3 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 72.32 110.86 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.826 ' O ' HG22 ' A' ' 127' ' ' VAL . 0.6 OUTLIER -76.57 -42.49 42.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.888 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -24.31 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 55.35 110.854 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -51.66 -30.82 23.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.834 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 124' ' ' ASN . 18.0 m -56.0 -24.2 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 43.34 111.126 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -60.68 -49.6 76.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 72.31 110.82 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -44.82 62.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 74.01 110.86 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.51 80.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.819 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.74 -34.22 64.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 65.04 111.109 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -52.38 -40.0 61.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 70.32 110.999 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.3 m -57.57 -32.31 67.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 63.21 110.841 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . -53.28 -42.08 66.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.15 111.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.95 -60.87 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 72.12 110.952 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 142.39 39.16 0.07 OUTLIER Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.683 -0.77 . . . . 54.34 112.396 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 71.24 111.124 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.784 0.326 . . . . 72.24 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -159.28 29.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.937 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 p -53.74 156.1 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 72.43 111.163 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -53.23 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 64.4 110.857 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -155.27 -76.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.904 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -85.78 155.6 20.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 60.32 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.11 143.14 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.53 111.104 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -69.77 80.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.906 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.605 ' O ' HG21 ' A' ' 127' ' ' VAL . 16.2 p -113.84 179.11 4.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 74.31 111.173 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.19 -169.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 70.4 110.849 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.3 68.67 1.46 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.749 -0.739 . . . . 54.32 112.499 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.403 ' C ' ' HB3' ' A' ' 21' ' ' ALA . 3.3 m -160.94 137.93 8.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.903 0.382 . . . . 74.51 110.875 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -179.23 165.55 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 71.03 110.857 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.5 p -136.16 115.41 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 72.44 111.118 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 70.38 -70.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 61.24 110.934 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.12 23.01 0.21 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.712 -0.756 . . . . 74.21 112.446 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -175.76 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 65.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -110.3 134.65 52.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 65.33 110.907 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.932 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -129.45 173.04 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 75.51 111.028 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -148.8 130.73 15.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.853 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' HB1' ' A' ' 57' ' ' ALA . . . -133.79 169.48 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 64.11 111.113 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.84 168.0 26.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.965 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.3 123.41 50.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 70.14 111.13 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.7 m-85 -109.39 136.81 48.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.9 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.8 t -143.86 129.33 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 53.41 111.135 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -124.6 136.02 53.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 73.42 110.952 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 66.88 12.84 9.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 52.12 110.865 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.89 23.98 33.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 42.1 112.425 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -149.44 159.33 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 63.23 110.916 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.32 122.37 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 21.13 111.129 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -107.64 -47.34 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.836 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -130.24 175.12 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.897 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -175.85 104.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 75.44 110.878 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.88 162.46 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 74.51 110.824 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.59 170.34 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 72.02 111.059 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.43 158.86 44.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 62.13 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.932 HG12 ' HB2' ' A' ' 21' ' ' ALA . 26.9 m -116.89 168.38 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.02 111.139 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.66 -156.22 16.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 64.11 112.425 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.78 33.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 74.21 110.881 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -94.61 154.32 40.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.586 0.708 . . . . 75.03 110.841 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -48.63 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.635 2.223 . . . . 72.1 112.326 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.92 -15.96 63.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 70.22 111.075 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.54 -23.06 15.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 70.41 111.185 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.54 -31.63 22.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.13 111.087 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.8 t -71.8 -18.19 62.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 63.32 111.143 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.624 ' O ' HG23 ' A' ' 51' ' ' VAL . 16.2 mmt -89.35 9.74 25.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.899 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.0 mtm-85 70.01 -72.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.918 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -161.33 21.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 62.3 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.733 ' O ' HD12 ' A' ' 55' ' ' ILE . 33.1 t -74.51 -42.87 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 72.01 111.152 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.65 -26.87 58.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 74.54 111.142 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -70.98 -51.74 17.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 54.44 112.483 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -53.16 -48.01 68.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 74.11 110.878 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 51' ' ' VAL . 5.5 mt -70.41 -31.19 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 65.32 111.162 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 53' ' ' GLY . . . -47.06 -44.73 21.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 51.22 111.079 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 23' ' ' ALA . . . -54.1 -51.2 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 74.41 111.125 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.3 -29.24 22.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 71.04 111.13 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.715 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.8 mt -70.4 -67.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 73.04 110.961 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -59.29 -22.22 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.858 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -67.43 -41.42 84.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.25 111.091 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 58' ' ' ALA . 96.5 t -76.05 -43.28 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.125 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -51.64 -49.69 61.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 74.02 110.85 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.746 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.7 mttt -76.9 -31.13 56.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.856 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.29 -33.38 41.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 53.2 111.142 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.3 t -75.57 -28.59 59.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.887 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -71.25 -41.87 69.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.7 mp -78.46 -2.27 37.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.33 110.927 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.94 59.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 61.24 112.497 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 m -100.78 174.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 72.31 111.151 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 149.29 45.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 64.23 110.974 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 pt -100.06 131.52 47.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 43.34 111.071 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 74.2 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.888 0.375 . . . . 61.2 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.9 164.39 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 64.44 111.088 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.8 -19.16 35.09 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.856 -0.688 . . . . 74.31 112.457 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 4.6 mp -68.89 -46.19 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 74.25 111.097 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.11 -5.97 42.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.12 111.15 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -81.57 -59.27 2.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.833 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.469 ' CZ3' ' HA ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -84.97 -10.81 56.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.9 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . -48.58 -29.19 4.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 71.45 111.091 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 52.01 111.124 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.931 0.396 . . . . 71.25 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -27.04 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 54.24 111.17 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.84 -41.63 45.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.06 -35.19 15.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 65.12 111.02 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -53.86 -51.35 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 72.23 110.926 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -59.64 -30.89 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.12 111.147 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -74.54 -53.01 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 43.22 110.893 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.715 ' CD1' HD13 ' A' ' 59' ' ' LEU . 13.4 mt -58.94 -27.41 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.7 ttp -51.95 -67.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.34 110.798 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -55.85 -30.03 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.903 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -46.33 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.839 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -130.92 35.74 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.945 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -83.35 128.41 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 74.11 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.76 -21.02 0.38 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 72.32 112.455 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -33.23 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 60.41 111.189 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.54 177.2 4.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.93 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.76 147.95 52.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 71.12 110.881 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.74 140.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 71.13 110.874 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -75.21 169.16 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.85 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.426 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 1.9 tttp -51.53 165.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.876 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.467 HG23 ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -153.13 129.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.139 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.7 mttm -90.65 -81.56 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.501 . . . . 74.03 110.962 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 172.43 176.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.53 111.122 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 64.36 -169.98 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 84' ' ' TRP . 0.7 OUTLIER 68.22 -174.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 71.13 110.892 -179.761 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.19 118.24 2.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 42.54 112.431 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -138.29 -158.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 54.42 110.908 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.14 -1.31 11.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.923 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' A' ' 126' ' ' TYR . 0.6 OUTLIER -50.07 -30.17 10.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 54.32 110.914 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.761 ' O ' HG22 ' A' ' 127' ' ' VAL . 12.8 p30 -66.91 -39.08 87.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 72.45 110.828 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -24.28 14.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 55.35 110.893 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.45 ' HB3' ' O ' ' A' ' 123' ' ' PHE . 4.0 t80 -51.59 -39.07 57.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.943 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 124' ' ' ASN . 28.8 m -55.38 -24.73 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 75.44 111.187 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.18 -52.8 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 55.51 110.88 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 9.4 ttp -72.19 -40.12 68.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.892 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -38.75 87.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 52.25 110.915 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.17 65.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 61.32 111.031 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -52.37 -40.48 62.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 73.24 110.886 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -32.45 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 64.3 110.833 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.49 -27.82 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.087 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.01 -38.31 11.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.933 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 115.28 36.6 1.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 71.45 112.46 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.5 mm . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 72.33 111.123 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.757 0.313 . . . . 73.01 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -100.72 82.59 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 63.2 110.847 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -128.12 137.47 52.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 65.43 111.089 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -68.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 55.25 110.862 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -162.7 -79.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.876 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.79 158.12 36.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 65.21 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 11' ' ' THR . 78.5 t -105.35 146.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.142 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -69.0 79.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.942 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.767 ' O ' HG21 ' A' ' 127' ' ' VAL . 82.2 p -135.69 157.58 46.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 74.12 111.133 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.15 88.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.93 79.85 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.733 . . . . 74.14 112.529 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.04 135.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 64.5 110.878 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -170.63 154.85 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 74.0 110.955 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.69 122.5 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 74.12 111.138 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t30 62.61 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 71.24 110.883 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.59 19.66 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 50.54 112.469 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -175.83 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 73.03 110.944 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -136.77 134.88 37.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 51.24 110.897 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.652 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -143.27 161.32 38.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 64.33 111.105 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -134.12 130.8 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 72.11 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.89 160.62 36.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 70.4 111.084 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.4 ' HB3' HG22 ' A' ' 11' ' ' THR . 1.0 OUTLIER -161.32 150.72 16.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 73.21 110.971 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.54 122.0 33.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 65.23 111.095 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 68' ' ' LEU . 2.6 m-30 -109.87 113.65 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 63.25 110.928 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.7 t -126.89 133.02 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 52.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -132.18 138.69 48.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.1 110.959 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 67.03 12.57 9.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 64.52 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.14 22.59 37.64 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.728 -0.749 . . . . 74.12 112.524 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -149.56 157.64 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 73.23 110.885 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.13 116.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.176 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -93.79 -42.2 9.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 70.12 110.828 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -131.52 168.83 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 63.52 110.943 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.64 90.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 74.21 110.833 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.18 108.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.03 -178.43 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.05 111.056 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -154.47 130.84 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.5 110.831 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 21' ' ' ALA . 19.5 t -102.08 155.25 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 64.23 111.134 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -118.02 170.33 13.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 70.42 112.438 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.98 28.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 72.53 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -74.41 156.0 87.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 65.41 110.864 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.65 -48.58 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 71.23 112.428 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.411 ' C ' HG22 ' A' ' 47' ' ' THR . . . -62.07 -23.56 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 70.24 111.092 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.22 -59.33 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.03 -34.05 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.147 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.425 HG23 ' HG2' ' A' ' 48' ' ' MET . 14.7 t -62.63 -32.23 73.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.22 111.125 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.425 ' HG2' HG23 ' A' ' 47' ' ' THR . 78.9 mmm -95.15 19.57 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.897 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 63.1 -167.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 63.51 110.938 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -70.46 -8.78 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.85 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.748 ' O ' HD12 ' A' ' 55' ' ' ILE . 84.2 t -51.91 -42.38 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 65.13 111.116 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.69 -21.31 57.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 40.22 111.14 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.507 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -75.4 -51.61 7.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 44.34 112.45 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.4 -49.98 63.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 64.42 110.973 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.748 HD12 ' O ' ' A' ' 51' ' ' VAL . 3.5 mt -65.23 -31.08 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 73.14 111.18 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.633 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -47.56 -46.26 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 70.2 111.148 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.57 -53.11 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 72.32 111.128 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.44 -29.36 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 64.22 111.066 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.3 mt -71.42 -67.57 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 52.42 110.983 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.633 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 32.9 m-85 -58.23 -23.33 55.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 64.25 110.886 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -63.89 -40.74 97.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 71.41 111.05 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 58' ' ' ALA . 58.5 t -76.35 -43.42 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 72.42 111.14 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -51.68 -50.04 61.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.905 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.759 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.48 -32.57 58.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.949 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -50.9 -41.83 58.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 61.14 111.062 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.8 t -65.37 -28.5 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 50.22 110.858 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -75.88 -44.89 38.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 62.01 110.967 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.4 mp -78.43 -6.64 55.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 65.11 110.935 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.56 33.06 40.19 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.78 -0.724 . . . . 64.44 112.436 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 68' ' ' LEU . 16.2 m -107.62 -32.61 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 74.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.52 -175.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.888 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.634 HG22 HG21 ' A' ' 9' ' ' VAL . 4.3 pt -133.27 134.23 57.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 61.3 111.195 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 54.42 110.884 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.92 0.39 . . . . 71.04 110.95 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.6 -173.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 63.33 111.181 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.99 -46.79 68.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 74.13 112.475 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.39 -41.2 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 61.21 111.123 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.27 -5.95 47.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 52.54 111.133 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -57.12 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.466 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.55 -17.21 45.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 71.45 110.948 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.31 -23.1 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 72.22 111.143 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 64.31 111.103 -179.879 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.875 0.369 . . . . 70.14 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -27.64 26.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.128 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -47.28 48.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 64.51 110.879 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.74 -36.28 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 72.13 111.12 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' HD1' HD21 ' A' ' 59' ' ' LEU . 91.8 t80 -53.76 -54.37 39.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.916 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -55.93 -30.88 62.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 72.52 111.137 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -75.53 -51.31 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 70.1 110.944 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 59' ' ' LEU . 12.3 mt -62.31 -17.68 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 65.2 110.903 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -66.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.899 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -54.49 -29.22 49.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 62.24 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -49.03 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.93 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -128.46 35.7 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.901 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -84.3 128.69 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.831 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.35 -20.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 63.13 112.534 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -33.62 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 55.04 111.167 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.406 ' CE1' HG11 ' A' ' 62' ' ' VAL . 26.0 p90 -109.68 177.37 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.953 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.61 150.67 51.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 73.44 110.864 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -175.87 147.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 63.13 110.806 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.6 -170.58 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.883 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -71.83 130.76 41.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.92 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -124.72 126.38 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 71.15 111.147 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -100.31 -82.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.466 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -179.97 115.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 63.23 111.1 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -179.36 142.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 62.54 110.88 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.62 -168.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 54.25 110.912 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -161.24 -144.22 3.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 74.5 112.525 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.8 -76.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 73.44 110.951 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.09 11.19 25.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.93 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -48.85 -45.55 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 72.02 110.826 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.77 ' O ' HG22 ' A' ' 127' ' ' VAL . 5.3 p30 -76.86 -23.85 52.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.843 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -71.67 -22.38 61.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 54.21 110.867 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.15 -45.22 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.945 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 124' ' ' ASN . 29.3 m -56.03 -23.13 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 72.24 111.166 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.45 -47.12 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.41 110.84 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 20.2 ttp -72.85 -37.01 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.895 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -56.1 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.873 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.39 -33.49 53.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.24 111.125 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -51.62 -32.95 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 55.13 110.883 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.1 m -67.26 -37.09 82.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.815 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -53.18 -41.27 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 62.05 111.107 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.73 -44.4 42.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.904 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.82 42.1 1.48 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.721 . . . . 73.43 112.535 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 62.14 111.122 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.493 ' OD1' HG12 ' A' ' 70' ' ' VAL . 3.8 m-20 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.905 0.384 . . . . 74.11 110.802 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -81.83 111.01 17.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.092 -0.503 . . . . 75.02 110.825 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.422 HG22 ' OH ' ' A' ' 7' ' ' TYR . 23.2 p -152.57 -83.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.22 111.175 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.27 63.36 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 73.22 110.92 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.422 ' OH ' HG22 ' A' ' 5' ' ' THR . 4.5 p90 -178.7 152.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 73.21 110.938 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.51 154.22 21.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 64.44 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.692 HG12 HG23 ' A' ' 11' ' ' THR . 81.8 t -90.05 145.32 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 45.1 111.103 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.32 78.84 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 74.2 110.937 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.692 HG23 HG12 ' A' ' 9' ' ' VAL . 80.5 p -138.23 172.95 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 63.5 111.148 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.81 100.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 74.04 110.822 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.68 91.0 0.47 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 64.22 112.437 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.27 133.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 75.2 110.875 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -179.19 142.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.964 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.67 122.92 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 52.14 111.181 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t30 62.56 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.6 18.17 1.0 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 50.31 112.515 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.55 175.23 5.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.84 0.352 . . . . 63.14 110.865 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -134.81 134.62 41.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.12 110.847 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.46 165.66 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 65.31 111.067 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.0 p90 -144.43 130.7 19.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.913 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 11' ' ' THR . . . -127.8 169.21 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.2 111.145 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.81 158.15 25.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 61.41 110.879 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.56 127.99 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 41.32 111.093 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.4 m-85 -109.11 139.9 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 64.45 110.868 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 t -142.27 132.26 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 72.04 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -128.94 133.58 47.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.53 110.939 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.32 12.52 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 54.45 110.805 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.81 26.33 24.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.701 -0.761 . . . . 45.44 112.442 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -149.75 164.82 34.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 63.12 110.891 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.16 122.54 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 65.14 111.151 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -107.55 -45.96 3.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.869 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -130.24 179.74 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.01 110.945 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -179.3 100.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 55.34 110.879 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.69 177.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 62.52 110.826 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -148.81 -170.19 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 65.44 111.043 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -155.1 140.73 17.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.807 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.1 t -102.2 155.48 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 51.43 111.137 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -119.58 -170.09 14.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 72.31 112.5 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.86 31.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 74.42 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.31 155.52 66.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.633 0.73 . . . . 74.41 110.897 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.652 2.234 . . . . 63.15 112.371 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.59 -24.9 65.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.24 111.11 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.98 -34.59 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 64.21 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.6 -25.69 57.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.086 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -74.17 -7.49 52.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.113 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.87 22.55 13.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 74.44 110.92 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 64.16 -81.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.834 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -154.49 20.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.13 110.84 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.752 ' O ' HD12 ' A' ' 55' ' ' ILE . 59.6 t -73.01 -38.94 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 61.43 111.116 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -76.16 -27.25 56.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 62.41 111.092 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.94 -49.73 15.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 72.31 112.484 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.28 -48.62 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 72.43 110.904 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 51' ' ' VAL . 3.5 mt -74.55 -31.34 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.5 111.075 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 52' ' ' ALA . . . -48.6 -31.87 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 63.41 111.132 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' A' ' 11' ' ' THR . . . -56.69 -53.37 58.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 53.44 111.108 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -39.67 61.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.149 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 102' ' ' LEU . 10.5 mt -52.31 -66.99 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.916 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -66.07 -23.33 66.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.465 . . . . 63.34 110.94 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.45 89.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 64.12 111.128 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 110' ' ' TYR . 96.9 t -76.27 -45.49 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 72.24 111.094 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -51.67 -48.07 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 63.24 110.891 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.623 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -73.28 -30.28 63.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 74.41 110.899 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.58 -34.02 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 43.23 111.114 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.418 ' HB2' HD12 ' A' ' 109' ' ' ILE . 3.7 t -73.14 -30.16 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 45.32 110.806 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.29 -37.9 78.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.888 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -91.98 -10.84 37.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 70.54 110.933 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 55.28 32.63 57.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 63.24 112.463 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.493 HG12 ' OD1' ' A' ' 3' ' ' ASP . 16.9 m -105.84 -29.93 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.942 0.401 . . . . 63.41 111.178 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.6 -169.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 63.41 110.859 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.5 pt -139.69 173.11 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.25 111.147 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.31 110.914 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.926 0.393 . . . . 65.53 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 51.93 -168.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 52.33 111.094 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.32 -25.61 73.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.805 -0.712 . . . . 53.54 112.506 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.96 -46.12 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 72.51 111.178 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.29 -8.75 52.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 61.35 111.113 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.31 -57.1 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.872 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -16.57 47.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.43 110.956 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -61.45 -16.39 46.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.04 111.063 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.52 111.079 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.876 0.369 . . . . 61.24 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -42.21 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.12 111.168 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -47.32 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 43.23 110.931 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.27 -33.51 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 73.55 111.047 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.517 ' CD2' HG21 ' A' ' 115' ' ' VAL . 28.4 t80 -53.43 -54.62 34.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 72.22 110.972 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.651 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -55.18 -33.05 62.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 75.01 111.113 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -74.55 -47.01 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.861 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 59' ' ' LEU . 5.7 mt -61.62 -16.89 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 63.22 110.909 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.0 ttp -57.36 -66.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.05 110.862 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -52.09 -31.83 32.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 54.15 110.816 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -48.82 67.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.963 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -116.79 28.89 8.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 62.01 110.913 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -83.19 125.22 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.864 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.45 -20.98 0.4 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.74 . . . . 75.34 112.524 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -108.21 -34.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 62.43 111.076 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.455 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.7 p90 -122.21 178.31 4.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.931 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.53 148.27 32.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 51.53 110.843 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.3 171.92 19.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.958 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.73 -170.0 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.866 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.606 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 5.4 tttp -94.49 117.08 29.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 74.24 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.651 HG23 ' HB2' ' A' ' 100' ' ' ALA . 2.1 m -104.32 139.76 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 71.11 111.126 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -105.5 -78.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 62.44 110.891 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 176.97 101.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 73.34 111.056 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -176.66 170.67 2.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.899 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 -169.41 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 65.24 110.817 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.04 -143.95 3.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 73.01 112.49 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -77.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 74.34 110.881 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -110.39 11.73 23.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.928 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -48.16 -44.89 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.873 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.739 ' O ' HG22 ' A' ' 127' ' ' VAL . 4.8 p-10 -74.63 -40.16 61.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 74.55 110.893 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.41 -24.77 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.899 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.7 -38.07 60.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 64.33 110.886 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 124' ' ' ASN . 20.9 m -56.04 -21.56 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 60.14 111.053 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.83 -48.99 74.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 55.02 110.919 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 6.7 ttp -68.87 -44.81 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 55.12 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -53.29 57.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 65.35 110.904 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.34 -33.63 54.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 33.14 111.071 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -52.26 -32.15 35.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.446 . . . . 63.32 110.845 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.7 p -75.6 -31.49 59.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 51.24 110.864 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.405 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . . . -55.09 -42.87 73.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 61.13 111.064 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.6 OUTLIER -68.87 -48.97 62.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 74.35 110.895 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.61 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 124.06 30.14 1.05 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.768 -0.73 . . . . 43.45 112.48 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.459 ' CD1' HD22 ' A' ' 135' ' ' LEU . 27.8 mm . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 54.12 111.184 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.8 0.333 . . . . 75.43 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -157.53 23.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 75.51 110.911 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -88.59 148.36 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 52.21 111.125 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -145.11 21.89 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 62.14 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.787 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 30.7 m-85 -121.47 157.11 31.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.35 110.905 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.734 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 10.7 t70 -50.63 151.05 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 70.05 110.863 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.729 HG12 HG23 ' A' ' 11' ' ' THR . 57.5 t -91.23 142.49 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 72.1 111.116 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -69.71 80.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.974 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.767 ' O ' HG21 ' A' ' 127' ' ' VAL . 41.2 p -131.46 177.79 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.132 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.54 106.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 65.34 110.847 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.87 -150.6 19.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 72.23 112.495 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p 64.36 156.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 72.14 110.868 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -176.69 166.27 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.945 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -141.87 113.46 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 42.23 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 69.55 -72.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 71.5 110.886 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.44 25.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.728 . . . . 64.04 112.484 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.67 -175.79 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 70.23 110.908 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.485 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 7.8 p90 -105.37 135.72 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 65.21 110.911 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 1.012 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -137.53 164.17 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 61.22 111.092 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -144.26 130.39 19.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.927 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.851 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -132.01 175.11 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 74.24 111.136 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.97 170.94 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.845 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.91 125.42 54.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 45.31 111.095 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -110.97 140.06 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.863 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 31' ' ' LYS . 4.8 t -144.89 128.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.31 111.126 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -124.91 134.53 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.52 110.899 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t0 67.1 12.5 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 61.55 110.889 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.41 26.39 25.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 42.14 112.541 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -149.64 162.78 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 75.31 110.861 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.45 119.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 71.02 111.074 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -107.68 -50.61 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 71.25 110.858 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -130.22 166.43 20.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.896 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -179.34 108.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.878 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.61 135.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.854 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.851 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -100.37 176.66 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 55.12 111.174 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -159.37 145.18 16.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 73.31 110.842 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.012 HG12 ' HB2' ' A' ' 21' ' ' ALA . 13.9 m -110.17 175.03 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 63.54 111.141 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.59 -157.01 9.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 70.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.6 52.03 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.767 0.317 . . . . 70.32 110.959 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -113.14 157.14 41.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 62.05 110.877 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -48.35 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.745 2.297 . . . . 71.3 112.288 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.49 67.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 74.21 111.101 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB1' ' CE2' ' A' ' 20' ' ' TYR . . . -99.37 12.93 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.15 111.106 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.33 19.17 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 62.04 111.133 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -126.48 11.89 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 63.32 111.14 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.528 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -125.43 22.89 7.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.845 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 72.12 -73.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 75.25 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -172.34 23.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.845 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.732 ' O ' HD12 ' A' ' 55' ' ' ILE . 49.0 t -76.09 -33.63 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.191 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB3' ' CE ' ' A' ' 48' ' ' MET . . . -77.27 -53.42 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 71.35 111.088 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.18 -26.26 42.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 14.13 112.476 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -69.39 -54.75 12.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 75.31 110.899 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 51' ' ' VAL . 2.9 mt -69.67 -30.56 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 75.44 111.133 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.558 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.47 -44.64 17.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 73.02 111.072 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.36 -50.25 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 70.04 111.105 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.33 -32.89 40.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 51.42 111.115 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.604 HD13 HD13 ' A' ' 102' ' ' LEU . 5.4 mt -67.9 -67.13 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.905 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.558 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 34.3 m-85 -56.93 -24.36 51.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 63.43 110.872 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.81 -40.54 88.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 61.13 111.051 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.558 HG21 ' CE1' ' A' ' 110' ' ' TYR . 96.6 t -76.26 -40.69 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 73.33 111.085 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -51.42 -48.0 62.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 62.43 110.867 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 68' ' ' LEU . 13.3 mttt -72.96 -29.26 62.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.906 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . -52.18 -32.53 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.23 111.095 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.4 t -75.94 -28.0 57.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.31 110.908 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -40.54 63.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 73.41 110.883 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.6 mp -81.93 -6.81 59.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 54.34 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.39 20.49 69.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 64.24 112.477 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 m -110.9 -171.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 75.2 111.105 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.08 168.17 20.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.875 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.5 pt -120.48 179.65 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 64.21 111.125 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 72.54 110.879 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.937 0.399 . . . . 75.12 110.952 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . . . -60.45 -168.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 71.52 111.084 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.42 -1.8 68.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 34.51 112.512 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.09 -38.33 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 62.4 111.117 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.34 -5.57 45.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.5 111.102 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -57.51 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.2 110.853 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.467 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.58 -13.79 55.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.918 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -49.14 -26.53 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 41.23 111.091 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.32 111.136 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.951 0.405 . . . . 73.1 110.848 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.497 HG21 ' ND1' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.14 -27.96 23.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.162 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -47.12 49.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.942 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.58 -33.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 73.44 111.102 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -53.47 -54.52 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.97 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -55.21 -29.51 58.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 40.0 111.097 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -74.54 -52.23 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.882 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.604 HD13 HD13 ' A' ' 59' ' ' LEU . 13.4 mt -59.9 -33.22 71.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 72.21 110.87 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.75 -67.36 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 64.41 110.844 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -53.47 -31.16 44.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.901 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -41.19 62.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.968 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.1 39.21 2.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.935 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.75 7.57 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 64.34 110.869 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.61 -6.01 61.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 71.11 112.507 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -40.66 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.384 . . . . 74.43 111.13 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.558 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.4 p90 -121.5 177.71 5.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.885 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.98 154.04 39.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 72.21 110.835 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -163.43 138.04 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 72.31 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.71 159.7 0.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 70.55 110.89 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.5 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 7.8 tttp -51.67 132.71 31.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.4 110.966 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -123.7 92.64 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 73.15 111.149 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -76.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.92 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.467 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 179.0 164.36 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 51.01 111.092 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.497 ' ND1' HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER -163.29 -169.25 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.893 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.7 m -110.36 -74.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 61.12 110.883 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -166.61 165.36 38.33 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.702 -0.761 . . . . 55.11 112.518 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.7 -179.4 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 74.35 110.935 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -101.91 2.36 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.05 110.851 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -55.61 -29.74 59.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.894 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.753 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.5 p-10 -71.25 -38.41 71.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.34 110.881 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -25.93 18.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 43.35 110.802 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.66 -34.33 51.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 75.13 110.91 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.767 HG21 ' O ' ' A' ' 11' ' ' THR . 29.3 m -55.23 -23.89 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 72.21 111.102 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -60.95 -50.5 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 63.42 110.872 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.1 ttp -69.9 -49.56 50.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 61.02 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -50.77 68.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 75.51 110.892 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.35 -38.37 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.095 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.69 ' HG2' HD12 ' A' ' 137' ' ' ILE . 0.2 OUTLIER -52.53 -32.4 40.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.895 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.7 m -74.32 -36.26 63.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 54.11 110.876 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -76.22 -33.67 59.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.21 111.131 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 132' ' ' LYS . 4.1 mt -69.55 -24.86 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 65.44 110.851 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 99.6 20.71 16.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 52.32 112.474 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.69 HD12 ' HG2' ' A' ' 132' ' ' LYS . 11.5 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 71.52 111.119 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.47 ' OD1' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.807 0.337 . . . . 71.22 110.851 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -138.89 27.69 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 61.44 110.848 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.47 HG23 ' OD1' ' A' ' 3' ' ' ASP . 71.6 p -79.62 168.75 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 61.41 111.135 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 178.46 35.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.403 ' HB3' ' HD3' ' A' ' 130' ' ' LYS . 22.7 m-85 -135.08 -108.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 74.2 110.905 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -152.13 156.66 40.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 71.13 110.845 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.646 HG12 HG23 ' A' ' 11' ' ' THR . 60.2 t -91.41 142.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.24 111.132 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -71.1 78.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 65.34 110.958 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.76 ' O ' HG21 ' A' ' 127' ' ' VAL . 24.3 p -136.16 158.45 44.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 72.54 111.163 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 65.26 76.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 71.44 110.847 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.76 88.23 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.752 -0.737 . . . . 61.24 112.458 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.58 158.69 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 73.33 110.887 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -179.4 156.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 71.24 110.844 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.0 p -141.73 112.24 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 72.22 111.14 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 69.69 -71.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.25 110.858 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.32 25.15 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 74.53 112.516 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.57 -175.61 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.797 0.332 . . . . 75.33 110.891 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 45' ' ' ALA . 28.1 p90 -110.85 134.44 52.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.42 110.891 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.8 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -126.31 172.41 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 73.24 111.076 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -150.35 130.58 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.907 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.69 163.17 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 70.32 111.095 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -162.04 145.19 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 63.11 110.9 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.18 107.19 19.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 50.55 111.052 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -92.53 137.8 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.929 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 32' ' ' VAL . 17.7 t -148.98 109.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.01 111.172 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HG2' ' CD2' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -111.12 142.66 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 73.32 110.877 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t0 70.72 9.73 6.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 73.14 110.907 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.36 22.19 45.3 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.676 -0.773 . . . . 72.5 112.496 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -149.5 157.46 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 73.3 110.912 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.428 ' HA ' HG22 ' A' ' 27' ' ' VAL . 97.7 t -58.24 129.9 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 74.03 111.119 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.423 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 48.8 t-80 -107.85 -59.48 1.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 63.53 110.884 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.8 166.65 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.862 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.14 99.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 73.34 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.48 -75.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 61.15 110.895 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 64.26 109.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 64.45 111.127 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -146.99 -174.64 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.865 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 ' HB2' ' A' ' 21' ' ' ALA . 28.1 m -116.17 174.4 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 65.41 111.157 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.95 169.68 19.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.662 -0.78 . . . . 53.03 112.438 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -132.61 5.11 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 73.53 110.916 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -61.5 150.56 80.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.729 . . . . 55.22 110.868 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -48.84 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.6 2.2 . . . . 74.42 112.309 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.38 16.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 73.43 111.057 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 20' ' ' TYR . . . -99.31 -20.2 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.08 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.94 16.0 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.23 111.149 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -123.35 -0.87 8.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.24 111.148 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.24 26.6 8.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.925 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 64.01 -83.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.766 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.92 17.79 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.825 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.68 -37.72 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 65.12 111.111 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.59 -48.63 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.161 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.99 -40.86 75.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.801 -0.714 . . . . 71.24 112.454 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -54.98 -54.09 47.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 73.31 110.869 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mt -70.42 -31.7 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 60.22 111.134 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.38 -31.83 6.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 60.51 111.149 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -57.89 -53.75 54.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 43.21 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.65 -43.51 65.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 73.14 111.069 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.682 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.2 mt -52.53 -66.96 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.894 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.4 -33.53 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.974 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.42 -38.06 76.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 73.31 111.091 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.7 t -77.08 -45.15 30.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 63.04 111.178 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -51.7 -50.29 60.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 52.34 110.89 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.7 mptt -70.89 -27.93 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 72.2 110.924 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . -52.93 -31.32 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.12 111.065 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.407 ' HB2' HD12 ' A' ' 109' ' ' ILE . 3.4 t -76.3 -30.21 57.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 64.51 110.863 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -63.59 -29.34 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 71.24 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -102.57 -10.53 19.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.872 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.0 21.98 78.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 64.24 112.518 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 m -113.56 160.82 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 60.23 111.165 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 -169.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 63.15 110.849 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 pt -137.64 159.78 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 64.04 111.103 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.53 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.97 0.414 . . . . 74.02 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.0 162.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 62.12 111.073 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.3 -14.18 59.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.696 -0.764 . . . . 73.32 112.507 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.539 HG23 ' HZ3' ' A' ' 84' ' ' TRP . 43.1 mm -68.99 -46.22 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 52.43 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.52 -10.51 59.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 75.03 111.14 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -55.53 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.867 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.539 ' HZ3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -80.21 -17.38 52.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 71.43 110.888 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.72 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -54.42 -24.29 19.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.34 111.089 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 64.23 111.144 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.5 t80 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.907 0.384 . . . . 74.54 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.77 -45.58 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 72.14 111.157 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -43.16 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.58 -31.71 11.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 71.3 111.102 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.49 ' HD1' HD21 ' A' ' 59' ' ' LEU . 92.5 t80 -53.39 -54.78 31.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.911 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.544 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -55.26 -31.58 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 65.3 111.162 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -75.51 -45.6 37.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.953 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.682 ' CD1' HD13 ' A' ' 59' ' ' LEU . 6.3 mt -65.87 -23.74 66.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 62.14 110.953 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.6 ttp -52.84 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.926 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -53.12 -30.91 39.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 62.24 110.845 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -43.06 49.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 65.41 110.975 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.02 40.6 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 63.44 110.958 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.81 6.28 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 74.12 110.875 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.28 -6.51 65.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 64.51 112.536 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.407 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -116.1 -40.42 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 73.34 111.131 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.424 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.7 p90 -121.94 177.48 5.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.955 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.4 155.67 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 74.42 110.926 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.86 124.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.818 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.54 -178.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 73.35 110.874 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.72 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -49.12 135.48 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.91 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 100' ' ' ALA . 0.1 OUTLIER -120.94 -58.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 64.03 111.113 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.4 ' H ' ' HB2' ' A' ' 100' ' ' ALA . 6.9 mmmt 54.59 -168.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.891 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -109.54 164.94 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 64.3 111.086 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.29 -67.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 74.14 110.832 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.8 p 179.34 -175.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.834 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.82 151.97 19.97 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.658 -0.782 . . . . 61.1 112.44 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -149.14 -166.84 2.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 63.34 110.913 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -6.72 48.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.935 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -50.52 -30.53 13.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 73.42 110.903 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.756 ' O ' HG22 ' A' ' 127' ' ' VAL . 22.8 p-10 -74.01 -38.79 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.04 110.915 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.82 -23.65 19.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.848 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.27 -37.75 56.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 52.22 110.972 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.76 HG21 ' O ' ' A' ' 11' ' ' THR . 27.0 m -57.93 -21.36 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 70.15 111.088 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -62.57 -53.36 55.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 64.14 110.931 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 10.7 ttp -72.43 -38.05 68.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.91 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.403 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -63.91 -53.32 52.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 71.33 110.841 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.51 -33.5 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 73.32 111.171 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 135' ' ' LEU . 1.1 tttp -52.07 -29.49 21.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.7 m -77.74 -34.61 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.819 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.95 -29.93 70.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 41.13 111.117 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 132' ' ' LYS . 1.8 mt -80.0 -43.98 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.932 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.88 38.36 2.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.806 -0.711 . . . . 63.41 112.457 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 28.6 mm . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 65.45 111.141 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.746 0.308 . . . . 73.12 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -137.46 28.85 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -54.87 148.84 12.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 71.13 111.118 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.67 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 38.4 tp10 -64.11 -75.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.874 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -148.28 -78.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.897 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.426 ' OD2' HG12 ' A' ' 127' ' ' VAL . 26.2 t70 -93.15 159.79 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 64.1 110.91 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.406 HG12 HG23 ' A' ' 11' ' ' THR . 75.9 t -92.75 144.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 64.41 111.11 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' HB2' ' HB1' ' A' ' 131' ' ' ALA . 20.6 t80 -70.71 78.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.984 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.723 ' O ' HG21 ' A' ' 127' ' ' VAL . 56.3 p -117.7 178.49 4.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.099 -0.501 . . . . 51.13 111.214 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.08 107.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 75.34 110.83 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.83 -169.05 29.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 45.31 112.508 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.78 153.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 73.32 110.897 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -179.77 164.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 70.3 110.889 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.5 p -141.25 114.73 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 71.13 111.175 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 70.17 -71.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.32 26.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 64.24 112.459 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -178.02 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.351 . . . . 63.02 110.934 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -106.37 134.25 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.904 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.795 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -125.98 164.92 19.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 74.42 111.071 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -143.56 130.44 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.865 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.404 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -141.98 163.69 32.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 71.33 111.112 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.652 ' HB3' HG22 ' A' ' 11' ' ' THR . 2.3 p90 -162.34 138.42 7.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 75.13 110.939 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.91 107.06 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 61.34 111.091 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -93.33 135.77 34.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 72.22 110.833 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 t -151.08 108.59 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.25 111.157 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 142.57 42.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 61.54 110.922 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t0 70.86 9.46 6.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 70.23 110.848 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.09 24.89 39.14 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.801 -0.714 . . . . 64.3 112.524 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -149.94 158.61 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 72.43 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.6 128.64 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 61.4 111.179 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -107.57 -42.13 4.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.846 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -177.95 152.94 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.92 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.87 113.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 70.43 110.846 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -128.47 -38.82 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 74.53 110.862 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 23' ' ' ALA . . . 65.52 151.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 64.45 111.069 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -154.39 176.92 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 54.42 110.838 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.795 HG12 ' HB2' ' A' ' 21' ' ' ALA . 26.9 m -117.49 174.39 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 35.21 111.123 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.11 -158.0 19.68 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 51.41 112.501 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.09 55.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 71.3 110.897 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 3.5 m120 -117.25 153.99 50.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 64.35 110.921 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -48.68 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 55.04 112.334 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 47' ' ' THR . . . -70.0 -32.17 70.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 64.32 111.069 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -78.06 -29.86 49.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 54.32 111.098 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.8 -36.78 36.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 72.43 111.083 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 44' ' ' ALA . 8.9 t -71.5 -14.12 62.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 73.14 111.096 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -90.42 11.73 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 62.11 110.915 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 70.19 -72.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 55.34 110.835 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -163.99 23.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.864 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.62 ' O ' HD12 ' A' ' 55' ' ' ILE . 61.0 t -74.44 -44.3 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.024 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.72 -20.32 58.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 42.55 111.115 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -75.43 -51.81 7.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 70.54 112.498 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -53.4 -48.71 68.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 63.13 110.946 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 51' ' ' VAL . 5.5 mt -67.99 -31.93 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 65.21 111.18 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 53' ' ' GLY . . . -50.21 -37.91 37.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 65.43 111.108 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.36 -49.74 76.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 45.31 111.112 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.06 -29.61 22.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.24 111.147 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.759 HD13 HD13 ' A' ' 102' ' ' LEU . 5.7 mt -68.09 -67.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.958 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -59.44 -23.58 62.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.898 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -64.1 -40.08 95.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.075 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 110' ' ' TYR . 84.7 t -76.42 -43.04 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 64.35 111.075 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -51.24 -49.97 60.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.601 ' O ' HD12 ' A' ' 68' ' ' LEU . 37.5 mttm -77.53 -30.31 52.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.904 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.99 -31.58 41.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 54.44 111.134 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t -75.95 -28.15 57.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 64.43 110.882 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -69.82 -41.04 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 52.54 111.0 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -86.18 -12.51 49.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 72.0 110.935 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.28 23.93 62.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.69 -0.767 . . . . 73.31 112.478 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 m -96.33 -32.54 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 65.4 111.135 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 64.0 -170.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 72.14 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -140.5 -178.55 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 62.22 111.163 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.821 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 14.7 p90 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.915 0.388 . . . . 65.24 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.66 21.8 16.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 42.34 111.133 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.27 -50.94 0.85 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.714 -0.755 . . . . 65.41 112.449 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.18 -31.29 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 74.32 111.061 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 78' ' ' TYR . . . -75.47 -11.38 60.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 62.11 111.172 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.26 -56.92 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.825 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.469 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.45 -13.29 56.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 70.34 110.973 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.83 -23.45 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 61.31 111.11 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.129 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.917 0.389 . . . . 74.01 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -40.96 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.15 111.171 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -40.1 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.64 -31.05 10.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.2 111.114 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.55 ' CE2' HG21 ' A' ' 115' ' ' VAL . 83.6 t80 -53.84 -54.03 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.879 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.9 -30.06 63.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.1 111.102 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -74.18 -53.19 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.452 . . . . 75.4 110.856 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.759 HD13 HD13 ' A' ' 59' ' ' LEU . 12.3 mt -59.04 -27.11 65.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 62.33 110.94 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 ttp -54.38 -66.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 61.14 110.821 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -51.85 -30.85 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 65.34 110.883 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -46.65 64.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.33 110.901 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -129.28 36.79 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.914 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -77.6 160.67 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 73.51 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.43 -50.33 0.88 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.748 -0.739 . . . . 45.34 112.467 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -31.68 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 70.35 111.159 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 62' ' ' VAL . 3.2 p90 -127.55 178.15 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 71.22 110.93 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.16 155.66 27.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 65.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -148.03 168.66 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 72.24 110.847 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -177.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.883 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -78.25 60.61 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.52 110.968 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 99' ' ' TYR . 2.4 m -51.47 153.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.453 . . . . 64.4 111.117 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 33.3 mmtt -133.6 -78.42 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 64.21 110.854 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.469 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 177.8 96.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 34.31 111.086 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -177.16 162.99 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 64.22 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 t -109.68 -169.23 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.837 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -152.16 -141.86 3.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 75.01 112.425 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.75 -84.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 73.3 110.928 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.11 11.93 23.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 71.41 110.897 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -48.15 -39.6 21.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.866 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.743 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.3 p30 -77.68 -34.5 52.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 75.51 110.87 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.79 -23.87 60.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.866 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.74 -39.39 62.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 63.12 110.889 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 124' ' ' ASN . 17.5 m -56.36 -21.92 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 65.11 111.123 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.04 -51.72 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.887 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 9.3 ttp -72.42 -41.62 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.52 110.889 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -53.43 57.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 60.43 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -53.43 -33.79 55.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 54.21 111.115 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -31.08 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.912 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 m -78.73 -32.4 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.883 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 6' ' ' GLU . . . -75.42 -42.12 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 52.5 111.057 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER -55.13 -61.91 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.96 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.577 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 141.09 67.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 14.43 112.486 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 35.8 mm . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 75.32 111.081 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.879 0.371 . . . . 75.25 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -149.35 18.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 54.51 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p -82.58 147.27 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.15 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -141.36 25.1 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 65.13 110.825 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.91 168.41 13.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.916 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.408 ' OD2' HG12 ' A' ' 127' ' ' VAL . 18.7 t0 -51.51 154.51 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 74.43 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.4 t -91.27 144.45 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 64.02 111.134 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.464 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 25.7 t80 -70.18 79.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.958 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.514 ' O ' HG21 ' A' ' 127' ' ' VAL . 67.2 p -107.82 179.88 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 62.14 111.156 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 40.78 77.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.919 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.23 -148.37 3.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 61.22 112.515 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.27 -170.04 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.889 0.376 . . . . 43.54 110.825 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -136.5 -177.09 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 74.41 110.94 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.5 p -141.26 115.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 72.12 111.096 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 70.31 -70.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 72.11 110.869 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.77 25.15 0.16 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 74.01 112.491 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.43 -175.65 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 73.04 110.956 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -125.67 135.2 51.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.917 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.65 125.14 31.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 62.11 111.079 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -110.21 130.7 55.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.226 -0.443 . . . . 65.53 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -135.72 163.63 29.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.52 111.128 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.17 167.63 21.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 64.54 110.941 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . . . -105.37 108.53 20.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.14 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.3 m-85 -104.5 139.8 38.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.901 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 31' ' ' LYS . 7.2 t -152.46 133.01 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 53.1 111.118 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -122.24 124.42 43.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.942 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.41 13.92 9.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.291 -0.413 . . . . 71.55 110.9 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.88 27.91 22.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 73.41 112.452 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -132.96 -179.09 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 73.21 110.92 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.1 99.77 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.41 111.105 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -85.63 -56.64 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.826 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -131.06 147.18 52.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 71.34 110.889 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -157.03 59.31 0.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.52 . . . . 73.31 110.828 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.58 103.03 4.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.903 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -62.1 -170.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 72.01 111.056 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -150.98 130.79 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 65.21 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.4 t -103.91 155.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 74.42 111.146 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.422 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -109.21 -151.68 14.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 43.11 112.497 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.35 46.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 73.12 110.869 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -121.61 153.08 59.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 62.24 110.878 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -48.53 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.689 2.259 . . . . 63.51 112.338 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.58 -33.19 69.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.35 111.104 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.91 -21.52 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 55.54 111.111 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.7 19.62 20.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 43.2 111.168 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -126.62 -1.56 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.13 111.131 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 mmt -98.7 35.21 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 74.35 110.879 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB2' HG23 ' A' ' 51' ' ' VAL . 3.3 mtt180 56.35 31.13 18.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.851 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 64.41 14.78 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 49' ' ' ARG . 84.2 t -73.2 -43.44 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 44.12 111.17 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -51.52 -30.09 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 71.32 111.061 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.92 -38.88 75.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 14.14 112.457 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -52.88 -55.34 23.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 63.32 110.947 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.597 HG22 HD21 ' A' ' 59' ' ' LEU . 3.3 mt -75.46 -31.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.13 111.097 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 52' ' ' ALA . . . -46.61 -50.39 17.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.124 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 23' ' ' ALA . . . -54.53 -49.37 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 71.03 111.105 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.87 -34.86 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 70.41 111.043 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.597 HD21 HG22 ' A' ' 55' ' ' ILE . 5.5 mt -62.11 -67.16 0.44 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 55.31 110.884 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -59.16 -28.67 66.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.946 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -62.27 -40.65 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.127 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 58' ' ' ALA . 99.3 t -76.27 -44.94 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 65.2 111.145 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -51.64 -49.45 62.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.88 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.742 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.9 mmtp -77.07 -31.24 55.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 73.44 110.915 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.08 -33.25 38.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.33 111.053 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.1 t -74.91 -28.54 60.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 60.25 110.886 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.72 -42.95 63.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 63.22 110.899 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.5 mp -79.01 -2.31 39.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.892 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.55 13.1 58.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 33.34 112.493 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.36 156.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 75.23 111.147 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.62 149.18 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.87 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.8 pt -100.21 151.95 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 74.52 111.11 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.926 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.908 0.385 . . . . 74.34 110.953 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 82' ' ' ALA . . . -174.13 85.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 74.31 111.124 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -49.57 -30.56 13.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.785 -0.721 . . . . 53.54 112.407 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.78 -31.74 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 74.34 111.118 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . . . -73.39 -7.7 52.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 70.33 111.087 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -62.13 -57.57 11.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 72.41 110.875 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.438 ' CZ2' HG11 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -83.78 -11.83 56.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.873 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.594 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -49.13 -26.2 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 65.1 111.083 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 72.34 111.126 -179.884 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.875 0.369 . . . . 75.2 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -40.92 59.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 45.45 111.163 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -40.85 45.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.933 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.18 -36.32 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 65.33 111.13 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.414 ' CD2' HG21 ' A' ' 115' ' ' VAL . 15.1 t80 -53.71 -55.36 26.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.15 110.928 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.43 -29.76 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 54.32 111.084 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -76.0 -48.52 20.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.64 -18.37 62.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.02 110.866 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.8 ttt -60.02 -67.22 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 70.35 110.872 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.0 -30.23 61.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 54.12 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -44.87 54.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.939 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -131.73 35.78 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 63.12 110.896 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -84.73 128.17 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.859 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 156.94 -20.55 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.735 . . . . 33.31 112.484 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.07 -33.08 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 64.14 111.089 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -112.14 167.93 10.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.945 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.46 142.93 47.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.832 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.35 172.1 10.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 54.24 110.853 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.87 147.14 23.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.811 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.594 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -51.52 146.66 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 65.32 110.937 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.438 HG11 ' CZ2' ' A' ' 84' ' ' TRP . 0.0 OUTLIER -122.89 149.95 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 51.14 111.18 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 8.7 mmtt -104.69 -80.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.9 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 174.83 127.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 60.43 111.097 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.85 -169.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.797 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.38 -168.89 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 64.32 110.826 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -90.65 -149.5 22.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.773 . . . . 70.14 112.509 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -178.35 -165.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 55.31 110.902 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -20.71 14.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.914 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.46 -30.83 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 64.4 110.862 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.825 ' O ' HG22 ' A' ' 127' ' ' VAL . 4.3 p30 -76.52 -42.47 43.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 62.22 110.901 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.49 -24.48 8.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.851 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.63 -30.76 22.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.13 110.954 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 124' ' ' ASN . 17.9 m -55.19 -24.07 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 64.3 111.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -53.33 -51.7 61.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.898 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.5 ttm -73.11 -42.98 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 61.1 110.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.74 -50.68 67.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.86 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.81 -38.33 61.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.15 111.087 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -53.29 -35.26 59.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -40.12 30.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 62.31 110.877 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.18 -34.02 68.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 74.32 111.149 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -77.12 -55.9 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.97 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.592 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 134.34 83.07 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 45.2 112.485 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 70.52 111.124 -179.924 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.776 0.322 . . . . 71.31 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -98.12 30.31 3.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 72.21 110.863 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -51.22 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.05 111.173 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 71.87 -68.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 72.1 110.879 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -50.38 157.6 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.905 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -52.93 159.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 62.24 110.847 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.579 HG12 HG23 ' A' ' 11' ' ' THR . 71.7 t -90.57 142.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.082 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -70.9 78.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.981 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.736 ' O ' HG21 ' A' ' 127' ' ' VAL . 17.8 p -121.4 178.59 4.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 72.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 64.11 64.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 51.34 110.848 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.8 -3.93 75.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 64.43 112.45 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t 63.45 -169.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 74.03 110.835 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -86.63 165.63 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 73.1 110.918 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 16' ' ' VAL . 3.8 p -139.86 109.12 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 52.22 111.128 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 69.62 -71.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.05 20.23 0.35 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.747 -0.739 . . . . 74.42 112.465 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -129.06 174.74 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 71.01 110.87 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -133.65 135.31 44.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.918 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.45 170.95 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 61.01 111.072 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -139.37 132.48 29.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 64.12 110.97 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' HG22 ' A' ' 11' ' ' THR . . . -131.64 168.65 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.43 111.057 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.402 ' HB3' HG22 ' A' ' 11' ' ' THR . 2.4 p90 -161.72 147.97 13.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 71.13 110.934 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.56 107.33 19.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 72.32 111.174 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -100.57 140.05 35.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.2 110.838 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.0 t -137.18 134.23 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 75.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.39 133.54 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 63.4 110.892 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.6 t0 67.55 12.0 8.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 72.11 110.847 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.43 24.94 27.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 73.01 112.447 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 27' ' ' VAL . 1.5 ptpt -149.64 160.02 43.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 64.3 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.11 123.7 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 63.15 111.14 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -107.71 -53.08 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.868 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -130.22 152.42 49.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 63.13 110.934 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.68 91.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 71.51 110.925 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.06 -42.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 53.24 110.868 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 64.42 164.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 63.21 111.015 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.66 161.73 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.887 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 40' ' ' GLY . 17.8 t -108.54 155.43 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 75.41 111.097 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -114.49 174.96 15.8 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.483 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.54 55.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 75.44 110.945 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -127.17 156.34 74.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.569 0.7 . . . . 73.41 110.887 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.442 ' O ' HG22 ' A' ' 47' ' ' THR . 54.1 Cg_endo -69.7 -42.28 3.6 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 73.0 112.369 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.462 ' HB1' ' CZ ' ' A' ' 95' ' ' PHE . . . -52.91 -27.54 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 40.53 111.073 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.44 -45.44 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.22 111.118 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -24.22 55.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 55.31 111.125 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 43' ' ' PRO . 2.8 t -62.73 -32.98 74.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.21 111.099 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.581 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 7.3 mtp -89.05 1.13 56.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.03 110.813 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 71.93 -71.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 73.32 110.907 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.08 -30.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 74.55 110.84 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.659 ' O ' HD12 ' A' ' 55' ' ' ILE . 39.8 t -49.85 -30.44 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 74.32 111.128 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.581 ' HB2' ' CG ' ' A' ' 48' ' ' MET . . . -76.53 -58.66 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 41.22 111.076 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.44 -48.53 75.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 62.04 112.455 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.99 -39.06 62.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 73.41 110.92 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 51' ' ' VAL . 10.5 mt -76.28 -32.22 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 41.52 111.132 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HA ' ' HG ' ' A' ' 59' ' ' LEU . . . -49.08 -32.02 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 62.11 111.155 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.453 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -52.3 -51.06 60.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 50.1 111.15 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.51 68.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 54.41 111.055 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD13 HD13 ' A' ' 102' ' ' LEU . 9.0 mt -52.32 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.927 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -62.53 -34.69 77.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 60.43 110.914 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.29 83.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.473 HG21 ' CE1' ' A' ' 110' ' ' TYR . 79.0 t -76.63 -48.3 26.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.099 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -51.4 -44.11 62.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 64.03 110.918 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.7 mmtp -74.58 -30.87 61.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 42.44 110.95 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.457 ' HB3' HG13 ' A' ' 109' ' ' ILE . . . -51.19 -32.05 22.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 34.5 111.081 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB2' HD12 ' A' ' 109' ' ' ILE . 4.7 t -75.78 -33.82 60.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.903 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -62.41 -33.87 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 64.4 110.933 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -94.51 3.89 54.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.934 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.61 19.49 42.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 73.11 112.541 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 68' ' ' LEU . 7.6 m -110.95 -171.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.368 . . . . 75.01 111.123 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.05 -169.07 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.951 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.634 HD12 ' NH1' ' A' ' 73' ' ' ARG . 10.7 pt -137.89 -178.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.15 111.183 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.634 ' NH1' HD12 ' A' ' 72' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.828 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.855 0.36 . . . . 75.12 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.92 -175.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 72.54 111.128 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.81 -37.17 56.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 65.23 112.45 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.623 HG23 ' HZ3' ' A' ' 84' ' ' TRP . 47.9 mm -50.56 -32.82 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 65.33 111.132 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 86' ' ' THR . . . -78.53 -34.26 47.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 65.34 111.077 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -55.3 27.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 73.21 110.89 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.623 ' HZ3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -72.16 -32.52 66.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 74.33 110.93 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.04 -29.65 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 62.53 111.111 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 82' ' ' ALA . 27.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 54.4 111.158 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.462 ' CZ ' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.931 0.396 . . . . 75.53 110.881 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.18 -32.71 59.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.04 111.195 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -46.17 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.897 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.02 91.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.52 111.059 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.465 ' CG ' HG21 ' A' ' 55' ' ' ILE . 14.7 m-85 -52.68 -35.05 54.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 63.25 110.975 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -71.81 -28.89 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 73.45 111.145 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -74.45 -44.36 52.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 64.14 110.918 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.484 HD13 HD13 ' A' ' 59' ' ' LEU . 49.2 mt -54.04 -20.93 7.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 72.31 110.859 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -65.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.929 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -57.94 -31.45 66.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 70.31 110.948 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.62 67.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.93 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -114.22 27.12 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.92 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.74 128.45 33.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 64.42 110.881 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 156.85 -24.46 0.49 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.728 -0.749 . . . . 71.15 112.478 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.457 HG13 ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -105.78 -33.16 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 72.24 111.12 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.473 ' CE1' HG21 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -127.54 178.04 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 75.42 110.892 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.42 163.71 36.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 63.54 110.864 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.57 171.9 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 75.52 110.859 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -78.09 161.51 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 64.54 110.844 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.23 129.08 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 61.24 110.922 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.458 HG23 ' HB1' ' A' ' 100' ' ' ALA . 1.0 OUTLIER -118.14 140.46 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 65.33 111.116 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -130.76 -76.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 70.02 110.907 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -179.3 133.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.51 111.102 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.07 -169.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.445 . . . . 74.22 110.816 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -150.58 172.77 14.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.835 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.15 -149.9 5.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 71.14 112.529 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.85 -78.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 75.44 110.847 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.64 10.99 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 65.35 110.924 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -48.01 -41.37 25.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 64.1 110.929 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.756 ' O ' HG22 ' A' ' 127' ' ' VAL . 8.5 p30 -75.7 -40.31 55.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 72.4 110.875 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.16 -23.09 32.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.818 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -51.97 -42.52 62.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 65.41 110.948 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 124' ' ' ASN . 20.5 m -55.78 -25.4 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.03 111.129 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.18 -50.06 74.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 14.2 ttp -72.38 -40.69 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.24 110.91 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -54.01 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.932 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.34 -33.83 55.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 53.42 111.147 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -30.47 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.856 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.4 m -73.29 -34.85 65.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 53.54 110.855 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.2 -39.44 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 64.23 111.149 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.92 -44.83 63.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.97 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.99 37.82 2.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 62.42 112.445 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 33.7 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 75.33 111.091 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.782 0.325 . . . . 73.41 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -151.38 20.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 62.23 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.8 p -73.61 -176.14 2.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.095 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.78 -64.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.822 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -50.0 164.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.915 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -50.83 157.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 64.02 110.87 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.617 HG12 HG23 ' A' ' 11' ' ' THR . 58.5 t -90.18 142.19 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 51.01 111.112 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -70.57 79.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.979 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.714 ' O ' HG21 ' A' ' 127' ' ' VAL . 27.9 p -118.76 178.97 4.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 64.35 111.169 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER 63.03 -171.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 61.41 110.903 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.14 141.97 12.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 73.24 112.488 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.58 177.07 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.352 . . . . 60.31 110.847 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.591 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 13.7 t80 -140.26 -70.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 73.12 110.9 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -143.41 128.97 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 53.14 111.125 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 46.27 -158.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 74.41 110.928 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.07 51.94 4.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 64.24 112.458 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.05 -175.63 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 63.11 110.937 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -129.05 136.56 50.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 75.12 110.926 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 15' ' ' TYR . . . -142.85 173.17 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.116 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.611 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 24.5 p-90 -138.65 130.41 27.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.891 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' HG22 ' A' ' 11' ' ' THR . . . -135.34 168.38 19.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 55.31 111.183 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -163.05 165.21 25.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.882 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.5 107.09 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.062 -0.517 . . . . 52.43 111.061 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.2 m-85 -91.14 140.08 30.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 74.1 110.946 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 t -144.02 127.91 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 73.2 111.137 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -121.62 131.69 54.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 74.41 110.891 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.15 13.42 8.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.888 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.5 23.34 37.04 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.767 -0.73 . . . . 70.21 112.473 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.72 170.15 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 44.35 110.876 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.48 119.48 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 61.44 111.087 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -107.58 -49.3 3.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 75.01 110.846 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -130.18 163.63 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 73.13 110.909 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -171.6 96.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.925 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -174.46 119.14 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 73.33 110.818 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.52 -176.78 6.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 64.34 111.123 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -153.87 138.95 17.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 54.31 110.844 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.9 t -105.18 155.49 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.13 111.131 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -111.41 -163.31 17.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 73.33 112.438 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.77 52.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 52.11 110.902 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -114.65 154.91 46.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.596 0.712 . . . . 63.12 110.906 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.534 ' O ' HG22 ' A' ' 47' ' ' THR . 54.4 Cg_endo -69.72 -48.76 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 71.54 112.367 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.75 -19.95 63.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 60.41 111.125 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.77 -35.19 13.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 61.52 111.105 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.22 -40.78 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 65.54 111.108 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 43' ' ' PRO . 5.6 t -60.54 -20.13 59.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 73.11 111.127 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.63 ' O ' HG23 ' A' ' 51' ' ' VAL . 25.4 mtp -90.97 12.48 19.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 73.43 110.861 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 69.94 -72.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 73.34 110.857 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -162.59 22.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 52.31 110.867 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.743 ' O ' HD12 ' A' ' 55' ' ' ILE . 35.9 t -74.18 -51.0 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 71.22 111.13 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.581 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -66.73 -20.13 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 62.32 111.091 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.49 -49.81 8.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 61.13 112.529 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 12' ' ' ASP . 21.0 pt-20 -64.97 -47.93 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 73.01 110.884 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 51' ' ' VAL . 4.5 mt -65.89 -32.01 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.5 111.103 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 22' ' ' TRP . . . -47.05 -49.07 22.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 52.44 111.086 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' A' ' 23' ' ' ALA . . . -49.78 -54.65 17.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.14 111.062 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.05 -30.13 24.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 32.24 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.1 mt -69.49 -67.29 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.928 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.584 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 34.1 m-85 -58.46 -25.05 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 71.41 110.94 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.65 96.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 74.41 111.125 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 58' ' ' ALA . 93.8 t -76.28 -43.76 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 54.14 111.132 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -51.86 -48.21 64.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 63.2 110.929 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.72 -31.19 56.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.884 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.9 -32.36 32.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 75.1 111.133 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -76.07 -28.86 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.83 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -72.48 -43.57 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.939 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.6 mp -77.91 -3.24 40.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 74.2 110.926 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.42 11.39 59.42 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 33.44 112.506 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 m -101.65 -171.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 71.12 111.111 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.99 -169.93 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.864 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.401 HD11 ' CB ' ' A' ' 110' ' ' TYR . 8.9 pt -138.15 -178.99 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.52 111.154 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 65.15 110.848 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.904 0.383 . . . . 65.14 110.85 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.99 -165.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.096 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.39 -35.24 35.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 71.33 112.469 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.62 HG21 ' CD1' ' A' ' 112' ' ' PHE . 1.9 mp -56.14 -24.1 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 74.34 111.169 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.3 -22.74 12.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.052 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.31 -56.44 11.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 73.3 110.901 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.461 ' CE3' HG12 ' A' ' 115' ' ' VAL . 8.1 m-90 -73.0 -29.92 63.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.889 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.59 -28.67 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 62.13 111.145 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.5 111.173 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.941 0.4 . . . . 64.32 110.845 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.459 HG21 ' H ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.49 -34.98 60.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 53.2 111.167 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HG3' ' HB2' ' A' ' 117' ' ' ALA . 3.8 mp0 -58.11 -42.17 85.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 43.04 110.986 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.5 -36.29 22.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 63.45 111.172 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.793 ' CD2' HG21 ' A' ' 115' ' ' VAL . 5.6 t80 -53.59 -48.57 69.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.925 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -60.78 -27.27 67.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 64.54 111.124 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -74.71 -51.39 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 64.32 110.886 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.49 ' CD1' HD13 ' A' ' 59' ' ' LEU . 7.7 mt -53.89 -24.66 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 60.3 110.895 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.874 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.9 -30.52 61.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 71.22 110.905 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -47.76 50.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 62.43 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 34.79 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 43.21 110.924 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 128.15 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 74.42 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.54 -21.68 0.33 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.789 -0.72 . . . . 53.52 112.517 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -33.7 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 73.32 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.401 ' CB ' HD11 ' A' ' 72' ' ' ILE . 9.1 p90 -115.75 177.75 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 63.43 110.915 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -139.78 151.75 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.863 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -175.95 172.76 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.14 110.915 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.41 164.11 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.894 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -71.59 78.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 61.4 110.943 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.793 HG21 ' CD2' ' A' ' 99' ' ' TYR . 15.0 m -50.87 111.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 62.44 111.107 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.6 mmtt -71.22 -78.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.863 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 176.31 150.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 60.4 111.106 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.459 ' H ' HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER -179.77 -177.1 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 70.12 110.814 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 p -91.29 -169.08 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.857 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -111.76 138.39 14.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 45.41 112.545 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -135.85 -140.15 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 62.34 110.919 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -106.12 -2.69 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.924 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -53.09 -26.5 16.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 55.33 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.741 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.5 p30 -75.6 -36.64 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.34 110.894 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.62 -24.02 45.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.954 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -52.17 -36.97 53.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.99 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 124' ' ' ASN . 27.2 m -55.58 -22.11 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 74.52 111.188 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -61.48 -53.02 61.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 75.04 110.876 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.8 ttm -69.15 -44.3 72.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.867 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -49.11 78.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.944 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.82 68.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 52.01 111.145 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -51.84 -30.0 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 72.13 110.851 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.1 t -70.72 -45.84 64.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.823 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.46 74.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 53.11 111.069 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.05 93.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 63.45 110.897 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 100.89 29.39 6.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 71.44 112.515 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 34.3 mm . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 73.52 111.142 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.852 0.358 . . . . 63.25 110.843 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -92.51 119.2 31.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.881 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.4 p -138.69 -78.1 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 74.43 111.173 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 61.65 62.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.918 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.738 ' CD2' ' HB2' ' A' ' 134' ' ' ALA . 16.2 p90 -174.6 135.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.15 110.945 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.446 ' OD1' HG12 ' A' ' 127' ' ' VAL . 17.8 t70 -49.55 160.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.872 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.764 HG12 HG23 ' A' ' 11' ' ' THR . 78.9 t -89.74 142.9 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 72.43 111.127 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -71.25 78.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 70.31 110.904 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.764 HG23 HG12 ' A' ' 9' ' ' VAL . 61.6 p -130.82 155.52 46.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 64.45 111.162 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.35 59.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 62.13 110.855 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.18 66.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.667 -0.778 . . . . 41.15 112.438 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.53 126.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 72.41 110.849 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -158.14 161.34 37.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 70.3 110.947 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 16' ' ' VAL . 8.6 p -142.24 125.38 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 62.4 111.148 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 46.19 -156.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.879 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.95 54.96 3.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.681 -0.771 . . . . 74.25 112.461 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -143.93 -179.21 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 55.32 110.845 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.482 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 9.0 p90 -129.76 134.59 47.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.887 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.84 159.48 40.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 63.45 111.114 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -132.47 130.53 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 72.43 110.968 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.965 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -127.99 168.14 15.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 62.02 111.05 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.08 176.57 11.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 71.54 110.934 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.21 125.65 51.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 74.53 111.124 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.53 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.4 m-85 -113.69 140.46 48.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.828 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 t -143.32 133.17 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 44.43 111.141 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' CE ' HD23 ' A' ' 68' ' ' LEU . 1.2 mmmt -139.39 141.81 37.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 63.45 110.907 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 66.44 13.15 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 25.01 110.858 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.84 7.73 68.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 23.41 112.401 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -134.52 169.47 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 70.04 110.89 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -64.38 125.61 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.22 111.156 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -107.53 -57.59 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.32 110.834 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -130.14 159.86 35.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 73.21 110.911 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.52 87.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 75.34 110.885 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -159.69 138.99 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 64.23 110.826 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.965 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -92.85 179.88 5.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 63.15 111.115 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.35 148.95 30.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 45.14 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.9 t -108.73 155.65 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 75.24 111.17 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -114.41 -154.61 11.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 52.42 112.451 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.34 55.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 64.21 110.945 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -122.38 154.85 62.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 71.1 110.899 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.67 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.653 2.236 . . . . 73.32 112.381 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.91 69.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 45.43 111.102 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB1' ' CE2' ' A' ' 20' ' ' TYR . . . -95.04 14.11 22.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.44 111.122 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.07 12.6 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 74.43 111.153 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -119.62 12.69 12.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.114 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.39 22.36 8.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 52.21 110.975 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 72.09 -73.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 70.14 110.852 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -172.15 22.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.848 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.12 -32.82 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 72.5 111.118 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.24 -55.9 5.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 74.1 111.107 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.84 -33.62 56.37 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.744 -0.741 . . . . 71.14 112.483 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.62 -54.39 47.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 53.33 110.86 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mt -74.02 -31.49 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 72.2 111.175 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.502 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.55 -38.02 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 62.31 111.069 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -51.0 -47.41 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.41 111.122 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.52 -37.56 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 72.33 111.113 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.9 mt -62.81 -66.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 52.32 110.991 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.502 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 36.7 m-85 -53.64 -28.35 32.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.951 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.77 80.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.043 -0.526 . . . . 54.41 111.079 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 58' ' ' ALA . 69.7 t -75.93 -43.36 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.107 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -51.5 -48.41 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.89 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.701 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -77.2 -31.38 55.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 52.33 110.902 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.03 -34.39 42.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 51.15 111.11 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 t -73.95 -28.79 61.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 52.51 110.897 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -72.22 -39.57 68.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 54.24 110.953 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -82.49 1.56 37.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.888 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.87 22.01 39.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 45.42 112.512 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 68' ' ' LEU . 8.1 m -108.77 -175.9 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 52.13 111.206 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -138.19 152.53 48.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.957 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.6 pt -100.21 179.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 71.34 111.115 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 62.42 110.849 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.93 0.395 . . . . 74.12 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.25 -169.52 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.51 . . . . 73.24 111.148 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -56.28 -22.68 38.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.742 . . . . 64.11 112.567 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.502 HG23 ' HE3' ' A' ' 84' ' ' TRP . 8.0 mm -79.58 -21.18 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 75.04 111.11 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.52 -37.03 74.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 51.35 111.131 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -92.91 -20.93 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 62.15 110.902 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.742 ' CE3' HG21 ' A' ' 115' ' ' VAL . 12.7 t90 -75.9 -27.15 57.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 73.34 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.763 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -80.93 -18.83 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 74.54 111.127 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 73.41 111.163 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.949 0.404 . . . . 73.24 110.892 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.666 HG22 ' CZ2' ' A' ' 84' ' ' TRP . 0.0 OUTLIER -75.48 -40.5 57.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 73.13 111.164 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -39.68 35.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 62.14 110.888 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.19 -40.83 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 61.41 111.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.517 ' HD1' HD21 ' A' ' 59' ' ' LEU . 73.0 t80 -52.27 -55.51 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.913 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.4 -32.25 38.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 53.34 111.063 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -76.93 -56.52 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.33 110.927 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.556 ' CD1' HD13 ' A' ' 59' ' ' LEU . 46.8 mt -55.69 -21.71 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 54.11 110.86 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.91 -67.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 61.32 110.847 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.43 -30.49 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 72.25 110.893 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -49.22 54.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.874 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.493 ' OH ' HD22 ' A' ' 59' ' ' LEU . 1.9 p90 -126.84 35.45 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.946 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.89 129.56 34.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.838 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.74 -21.18 0.38 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 43.1 112.497 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -31.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 62.24 111.17 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -117.7 177.6 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 75.33 110.963 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 t -148.75 161.46 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.828 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -170.93 172.84 5.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.869 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.43 155.07 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 63.32 110.927 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.79 101.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.96 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.763 HG23 ' HA ' ' A' ' 85' ' ' ALA . 3.4 p -114.13 146.97 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 70.33 111.164 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -129.84 -65.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 52.22 110.872 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.68 160.21 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.097 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 179.62 -169.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.22 110.797 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.6 p -82.66 -75.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 62.22 110.859 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 139.44 -173.83 22.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.662 -0.78 . . . . 65.12 112.47 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -179.42 -169.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 55.31 110.902 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -6.84 51.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.913 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -51.61 -29.72 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.772 ' O ' HG22 ' A' ' 127' ' ' VAL . 2.8 p30 -74.04 -41.98 60.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.873 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.58 -25.04 9.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 63.52 110.931 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -52.43 -36.26 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.92 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 124' ' ' ASN . 32.5 m -55.57 -23.58 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 42.33 111.156 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -60.85 -53.59 55.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 73.51 110.873 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -39.94 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 60.24 110.883 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -46.69 86.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 72.45 110.914 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.93 71.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.109 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.69 ' HG2' HD12 ' A' ' 137' ' ' ILE . 3.4 mttp -59.58 -36.03 75.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 73.51 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 t -59.75 -31.74 69.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 65.2 110.832 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.738 ' HB2' ' CD2' ' A' ' 7' ' ' TYR . . . -51.61 -40.4 59.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 71.51 111.059 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 mp -88.46 -13.6 39.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 74.14 110.952 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.87 36.79 35.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 72.53 112.422 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.69 HD12 ' HG2' ' A' ' 132' ' ' LYS . 4.1 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 73.23 111.077 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.767 0.317 . . . . 62.42 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.73 -179.78 8.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 62.51 110.903 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.3 -168.95 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.888 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -159.12 24.26 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 53.12 110.844 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -70.34 165.24 22.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.147 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -157.03 26.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.876 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.594 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 23.6 m-85 -139.02 154.05 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 64.4 110.879 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -50.89 153.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 60.24 110.846 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.615 HG12 HG23 ' A' ' 11' ' ' THR . 94.0 t -90.39 147.68 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.175 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -68.39 78.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.685 ' O ' HG21 ' A' ' 127' ' ' VAL . 71.1 p -139.36 164.19 30.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 63.5 111.129 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.549 ' CG ' HD11 ' A' ' 81' ' ' ILE . 0.9 OUTLIER 64.5 108.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.896 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.22 85.53 1.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 73.33 112.459 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 t -175.6 141.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 75.45 110.866 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -179.23 157.39 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.896 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.6 p -129.08 115.21 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.23 111.147 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 70.43 -70.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 54.31 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.84 23.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 53.55 112.474 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -175.65 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 71.11 110.907 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -129.0 134.66 48.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.927 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.15 150.78 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 74.05 111.059 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -120.81 130.6 54.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.903 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 11' ' ' THR . . . -132.18 165.55 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 72.14 111.061 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.84 163.91 29.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 54.34 110.919 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.75 126.6 53.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 62.13 111.092 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.673 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.6 m-85 -109.12 140.06 43.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.53 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.0 t -143.43 129.41 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 74.35 111.087 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -124.55 134.26 53.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.918 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 t0 66.97 12.65 9.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.865 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.28 25.48 28.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 63.22 112.468 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 27' ' ' VAL . 8.3 ptpt -149.54 162.04 40.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 72.1 110.859 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.09 121.53 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 75.32 111.092 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -107.66 -46.04 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 64.41 110.841 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -130.21 177.31 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 71.31 110.896 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -179.36 103.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.942 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.92 145.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 65.31 110.855 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.59 -171.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.102 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -156.95 138.65 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 40' ' ' GLY . 17.6 t -111.52 155.67 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.121 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -101.78 -147.24 19.67 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 51.02 112.491 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.4 -33.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 71.04 110.881 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -50.76 147.8 8.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.736 . . . . 72.31 110.896 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' O ' HG22 ' A' ' 47' ' ' THR . 53.2 Cg_endo -69.8 -46.21 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 52.52 112.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.56 -30.78 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 73.12 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.21 -17.38 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 73.02 111.08 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.56 19.29 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 72.55 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 43' ' ' PRO . 14.3 t -125.97 -2.89 7.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 73.55 111.166 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.0 mmm -96.35 33.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 63.3 110.868 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.558 ' HB2' HG23 ' A' ' 51' ' ' VAL . 11.8 mtt180 63.42 28.05 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.34 110.821 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 64.22 15.32 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.558 HG23 ' HB2' ' A' ' 49' ' ' ARG . 86.9 t -72.96 -42.86 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.45 111.133 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -51.93 -29.69 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 53.24 111.08 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.78 -43.44 59.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.469 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -55.03 -54.65 40.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.361 . . . . 74.51 110.865 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.72 -30.19 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.12 111.092 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.19 -46.45 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.42 111.124 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.488 ' HB3' ' HB ' ' A' ' 11' ' ' THR . . . -50.18 -55.16 16.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 62.15 111.074 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.85 -29.8 21.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 73.42 111.056 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.6 mt -69.79 -67.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 61.21 110.932 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.619 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 33.6 m-85 -58.74 -23.27 59.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.964 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.54 96.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 61.33 111.088 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.8 t -76.28 -43.1 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.14 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -51.62 -47.92 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.894 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 68' ' ' LEU . 3.6 mmtm -76.66 -30.09 56.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.935 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.56 -31.78 37.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.116 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.4 t -76.06 -28.69 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.84 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -71.28 -41.01 70.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 72.44 110.895 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -81.96 0.67 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.946 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.63 17.03 47.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 65.05 112.481 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 68' ' ' LEU . 6.1 m -105.2 -179.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 73.23 111.17 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.78 153.77 48.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 54.12 110.877 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.545 ' O ' HG23 ' A' ' 74' ' ' ILE . 7.9 pt -100.06 179.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 75.45 111.134 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -54.12 119.38 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 61.13 110.896 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.614 HG22 ' H ' ' A' ' 111' ' ' SER . 20.6 pt -127.99 -35.4 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 55.53 111.118 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.4 93.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 36.2 m80 51.99 37.94 22.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 64.5 110.862 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -51.14 -59.45 4.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.86 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 82' ' ' ALA . 0.2 OUTLIER 68.57 -76.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.906 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 55.7 -168.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 65.33 111.135 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.46 -25.36 74.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 21.44 112.469 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.549 HD11 ' CG ' ' A' ' 12' ' ' ASP . 2.0 mp -65.19 -32.97 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.866 0.365 . . . . 61.54 111.171 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 78' ' ' TYR . . . -74.62 -5.44 43.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 62.02 111.098 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -68.75 -57.88 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 64.23 110.877 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -16.57 46.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 70.54 110.953 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 115' ' ' VAL . . . -58.03 -20.65 40.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.24 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.5 p -64.78 -18.84 65.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 71.43 111.136 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.15 81.88 1.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 70.25 112.458 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -100.02 -29.25 12.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 62.51 110.89 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.86 158.79 44.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.919 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.63 154.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.89 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.47 ' HB1' ' HG3' ' A' ' 97' ' ' GLN . . . -63.66 -35.58 81.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.41 111.097 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -42.46 82.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 74.42 110.839 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -48.99 123.55 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 63.31 110.861 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 63.84 169.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 74.41 110.867 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -89.92 6.11 43.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.908 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -26.89 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 71.24 111.172 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.47 ' HG3' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -48.48 -45.1 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 62.21 110.927 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.1 -33.32 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 71.13 111.095 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.419 ' CE2' HG21 ' A' ' 115' ' ' VAL . 9.5 t80 -54.31 -54.42 40.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.914 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.76 -31.92 65.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 60.43 111.144 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -74.27 -48.67 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.908 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.71 ' CD1' HD13 ' A' ' 59' ' ' LEU . 10.3 mt -58.19 -20.03 38.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.35 -66.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 45.11 110.872 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -55.23 -31.19 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 63.3 110.908 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -44.16 52.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 72.54 110.9 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -131.92 34.85 3.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 72.42 110.952 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -81.3 128.43 33.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 74.41 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.3 -21.03 0.41 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 52.21 112.468 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.02 -33.59 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 73.1 111.176 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -115.65 177.38 4.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.955 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.614 ' H ' HG22 ' A' ' 74' ' ' ILE . 1.4 m -145.2 154.32 42.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 45.22 110.859 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.3 171.89 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 70.43 110.891 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.17 -173.25 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.88 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.52 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 3.0 ttpp -77.24 124.25 27.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.925 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -119.52 105.36 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 64.33 111.174 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -67.72 -81.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.874 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -178.52 -174.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.03 111.101 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 60.8 t60 64.63 158.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.5 -176.37 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 63.13 110.847 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 142.39 91.58 0.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 30.5 112.462 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 t30 179.91 -167.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 73.01 110.911 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -105.32 9.4 33.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.921 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -51.24 -29.33 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.43 110.887 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.72 ' O ' HG22 ' A' ' 127' ' ' VAL . 13.2 p30 -75.67 -39.98 56.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 75.53 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.35 -24.95 13.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 71.24 110.843 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.82 -36.78 59.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.926 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 124' ' ' ASN . 19.8 m -57.27 -20.31 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.33 111.123 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.15 -50.71 70.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.909 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 7.4 ttp -72.45 -41.21 66.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 61.42 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -54.2 44.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 45.12 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.3 -33.96 55.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 73.31 111.149 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.42 -33.0 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.899 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.0 t -71.75 -32.68 67.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 62.13 110.889 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.594 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -79.92 -42.85 23.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 43.35 111.098 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 136' ' ' GLY . 2.5 tt -52.94 -56.58 14.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 74.23 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.589 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 137.34 74.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 52.23 112.475 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.544 HD11 HD22 ' A' ' 135' ' ' LEU . 24.0 mm -123.87 150.59 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 61.1 111.154 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.45 166.38 12.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 74.4 110.879 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.75 -177.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 73.53 110.904 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.9 mt -167.8 89.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.34 110.92 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.6 168.05 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.927 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -145.28 94.99 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 72.05 110.913 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -158.48 162.12 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -173.71 176.57 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 62.32 110.906 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.95 -178.97 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 50.22 110.841 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -142.35 136.61 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.867 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.15 110.879 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.784 0.326 . . . . 62.04 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -165.27 170.32 14.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 64.03 110.84 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -139.32 131.32 27.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.834 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -93.11 16.62 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -88.1 134.11 33.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 74.22 111.139 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -142.99 20.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 71.54 110.873 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -117.5 164.34 15.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 73.41 110.928 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -50.51 153.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.078 -0.51 . . . . 73.02 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.565 HG12 HG23 ' A' ' 11' ' ' THR . 55.4 t -90.84 143.46 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 54.11 111.161 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -71.71 78.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 63.24 110.943 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.696 ' O ' HG21 ' A' ' 127' ' ' VAL . 11.2 p -119.71 179.15 4.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.079 -0.51 . . . . 73.05 111.2 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.84 63.61 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.859 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.4 -110.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 74.24 112.469 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -172.02 145.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 61.44 110.836 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -51.97 168.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 75.14 110.892 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -140.25 110.63 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 73.12 111.211 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 70.26 -69.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 64.42 110.906 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.84 -36.71 0.07 OUTLIER Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.714 -0.755 . . . . 52.35 112.414 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.19 -178.86 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 70.41 110.898 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.488 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 51.0 p90 -113.77 168.06 10.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 71.4 110.942 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.682 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -147.49 162.67 38.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 53.21 111.16 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.3 p-90 -141.66 130.57 23.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 75.02 110.913 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 11' ' ' THR . . . -128.72 169.13 14.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 64.23 111.088 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.05 169.98 22.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 55.02 110.917 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.52 125.12 53.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 71.12 111.146 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.642 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.4 m-85 -111.74 138.4 48.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 64.3 110.897 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 t -144.65 129.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 72.42 111.091 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -127.64 137.37 52.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 71.3 110.836 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 67.91 11.96 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.851 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.06 22.06 36.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 54.22 112.489 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.58 157.48 43.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 65.23 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -54.95 123.12 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 61.2 111.095 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -106.75 -44.97 4.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.839 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -130.38 174.99 9.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 61.34 110.906 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -177.81 105.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 73.43 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.79 159.33 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 72.43 110.908 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -127.83 175.08 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 64.55 111.072 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -153.84 170.68 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 71.25 110.913 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 21' ' ' ALA . 8.5 m -123.4 157.83 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 65.21 111.113 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.31 -155.79 32.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 64.22 112.532 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.98 33.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 75.04 110.922 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -105.13 154.28 38.92 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 71.42 110.924 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' O ' HG22 ' A' ' 47' ' ' THR . 54.0 Cg_endo -69.76 -48.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.685 2.256 . . . . 63.23 112.286 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.7 -18.32 65.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 75.34 111.092 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB1' ' CZ ' ' A' ' 20' ' ' TYR . . . -90.47 -36.26 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 73.31 111.157 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.31 -41.7 80.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 63.23 111.148 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 43' ' ' PRO . 2.4 t -59.42 -20.82 57.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.086 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.412 ' HG3' ' HB2' ' A' ' 52' ' ' ALA . 17.9 mmt -83.34 1.45 41.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.01 110.917 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 62.06 -86.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.865 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -134.14 3.5 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.853 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG11 ' OE1' ' A' ' 94' ' ' GLU . 64.1 t -73.27 -39.71 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 61.01 111.105 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.412 ' HB2' ' HG3' ' A' ' 48' ' ' MET . . . -70.73 -47.19 61.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 60.44 111.092 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.39 -20.73 38.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 64.1 112.556 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.83 -55.45 8.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 73.43 110.92 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.0 mt -75.06 -30.51 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 71.25 111.086 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.38 -33.46 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 51.34 111.085 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.98 83.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.24 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.39 -29.27 23.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 63.34 111.142 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.506 HD13 HD13 ' A' ' 102' ' ' LEU . 9.4 mt -62.32 -66.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 62.11 110.923 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.78 98.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.5 111.057 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 58' ' ' ALA . 87.1 t -76.26 -47.27 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.13 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -51.61 -44.59 62.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.845 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.732 ' O ' HD12 ' A' ' 68' ' ' LEU . 18.0 mmmt -75.24 -30.79 60.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 73.53 110.847 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 71' ' ' LYS . . . -51.18 -36.24 40.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 64.41 111.087 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.424 ' HA ' HG21 ' A' ' 109' ' ' ILE . 4.3 t -70.47 -29.84 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 35.51 110.855 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -73.92 -40.62 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 62.23 110.908 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.1 mp -85.63 -8.78 58.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 52.2 110.88 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.71 35.13 37.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 30.23 112.524 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 68' ' ' LEU . 14.4 m -110.12 -30.29 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 72.52 111.186 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER 66.5 -174.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.5 110.857 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.1 pt -136.05 179.48 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 63.41 111.122 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -54.99 136.05 48.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.2 pt -125.68 139.79 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.42 111.117 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 68.48 -75.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 75.05 110.903 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.27 80.04 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.903 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -173.39 65.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 61.21 110.904 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -51.11 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 74.21 110.942 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 50.22 -167.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 63.54 111.11 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.43 -8.83 63.44 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 72.03 112.461 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.52 HG23 ' HZ3' ' A' ' 84' ' ' TRP . 8.9 mm -75.59 -46.14 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 64.03 111.165 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.33 -21.08 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.14 111.158 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -63.8 -55.58 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.23 110.828 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.52 ' HZ3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -81.01 -24.22 38.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.914 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.64 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -52.09 -28.3 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 70.32 111.149 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.0 p -64.44 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.181 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.4 43.21 98.63 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.658 -0.782 . . . . 73.12 112.576 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.79 -27.72 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 74.33 110.804 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -111.93 158.91 18.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 74.5 110.992 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -50.03 154.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 70.32 110.941 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.795 ' HA ' ' HB3' ' A' ' 117' ' ' ALA . . . -50.65 -30.23 13.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 43.21 111.098 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.89 -28.24 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 73.04 110.903 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.99 104.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 64.23 110.913 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.511 ' OE1' HG11 ' A' ' 51' ' ' VAL . 76.3 mt-10 53.47 -173.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 75.55 110.872 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -93.55 18.59 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -25.93 28.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 75.3 111.22 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.629 ' HG2' ' HB1' ' A' ' 91' ' ' ALA . 3.3 mt-30 -49.02 -47.11 44.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.891 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.23 94.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 74.23 111.083 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -53.02 -33.7 52.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 70.54 110.886 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.33 -29.16 63.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.03 111.118 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -74.2 -44.84 51.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 75.03 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.506 HD13 HD13 ' A' ' 59' ' ' LEU . 57.5 mt -58.35 -19.91 39.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.15 110.893 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.3 ttt -53.42 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 64.35 110.89 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -55.47 -33.46 63.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -49.25 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 73.22 110.914 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.42 ' CD1' HG11 ' A' ' 62' ' ' VAL . 1.7 p90 -115.29 30.29 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 63.14 110.93 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -85.49 127.07 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.526 . . . . 75.42 110.956 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 155.68 -20.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 55.11 112.458 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.424 HG21 ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -108.1 -33.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 65.03 111.125 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -118.92 177.82 4.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.948 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.48 141.62 23.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 64.54 110.922 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -154.75 172.16 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 75.23 110.867 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 154.97 36.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 61.55 110.918 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -51.21 132.68 28.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.92 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -121.57 145.99 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 75.22 111.185 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -135.43 -76.95 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 62.21 110.917 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.795 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . . . -177.64 133.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.44 111.108 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -174.93 155.85 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 73.5 110.864 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.7 p -50.55 167.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 53.55 110.942 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -108.35 -165.88 21.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 62.45 112.502 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -179.31 -168.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.321 . . . . 62.15 110.843 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -83.38 2.7 35.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 71.3 110.985 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -53.21 -29.99 35.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 74.23 110.893 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.794 ' O ' HG22 ' A' ' 127' ' ' VAL . 4.6 p30 -73.53 -38.23 65.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 72.5 110.897 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.4 -24.93 21.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 74.33 110.88 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.27 -34.18 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 71.23 110.861 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 124' ' ' ASN . 35.0 m -55.24 -24.35 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 62.52 111.126 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -56.59 -52.35 65.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.847 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -41.12 66.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.817 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.29 65.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 55.54 110.907 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.33 -36.57 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.0 111.171 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.644 ' HA ' HD12 ' A' ' 135' ' ' LEU . 2.1 tttt -52.55 -31.21 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.928 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 m -76.38 -35.02 58.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.885 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.42 -31.49 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 74.31 111.076 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 132' ' ' LYS . 2.1 mt -77.63 -51.49 10.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.35 110.904 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 115.95 41.14 0.79 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.706 -0.759 . . . . 75.21 112.451 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.9 mm -72.66 152.76 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.814 0.34 . . . . 62.54 111.168 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.32 166.09 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 75.03 110.904 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -179.68 -176.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 62.1 110.879 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.615 HD23 ' H ' ' A' ' 141' ' ' GLU . 0.3 OUTLIER -99.5 161.85 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 62.52 110.879 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.615 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.1 pt-20 -55.29 139.26 43.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 61.42 110.894 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.91 155.21 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.889 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.67 178.88 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 71.23 110.805 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -174.65 -178.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 70.35 110.852 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.8 160.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 75.3 110.842 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.08 168.38 2.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.851 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 22.3 t60 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 63.34 110.848 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.761 0.315 . . . . 61.12 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -152.65 161.32 42.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 73.31 110.832 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.52 -168.88 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.878 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -158.74 27.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 64.51 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 p -63.26 -76.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.23 111.158 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 63.81 16.5 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.424 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 24.2 m-85 -134.73 154.0 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.709 ' OD2' HG12 ' A' ' 127' ' ' VAL . 22.2 t0 -51.23 151.62 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.844 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG12 HG23 ' A' ' 11' ' ' THR . 73.2 t -91.39 142.78 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 75.3 111.154 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -71.48 79.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.927 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.605 ' O ' HG21 ' A' ' 127' ' ' VAL . 41.3 p -116.14 173.33 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.134 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.16 157.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.14 110.867 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.13 146.95 8.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 62.43 112.471 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -169.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.358 . . . . 74.24 110.831 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.722 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 16.1 t80 -147.35 -70.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.89 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.94 131.01 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.01 111.069 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 45.73 -156.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.899 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.93 50.22 4.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.47 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.66 -179.2 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 73.41 110.831 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -125.99 135.45 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.31 110.971 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.722 ' HB3' ' HB2' ' A' ' 15' ' ' TYR . . . -147.54 173.05 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.094 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 28.8 p90 -139.34 130.62 26.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.848 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -131.79 165.38 23.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 55.4 111.077 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.81 167.93 24.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.924 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.18 125.36 54.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 54.35 111.073 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.648 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.7 m-85 -112.34 138.18 49.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.921 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.8 t -145.31 128.02 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 75.3 111.143 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.69 135.78 54.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.921 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.16 12.51 9.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 64.13 110.924 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.24 24.23 32.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 33.11 112.498 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' N ' HG13 ' A' ' 27' ' ' VAL . 5.2 ptpt -149.42 159.87 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 71.43 110.887 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.95 122.15 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.34 111.087 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -107.71 -45.06 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 73.14 110.865 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.11 -175.74 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.915 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -174.72 -168.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 73.02 110.827 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 65.26 153.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.876 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -120.33 -169.5 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.02 111.087 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -142.3 138.56 31.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.897 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.3 t -101.77 155.22 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 64.31 111.147 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -124.09 163.06 17.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.717 -0.754 . . . . 51.34 112.45 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 48.06 1.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 72.25 110.844 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -90.02 154.63 47.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.536 0.684 . . . . 75.11 110.945 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -48.33 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.676 2.251 . . . . 71.51 112.375 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.59 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.084 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.57 -52.57 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.118 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.1 93.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.139 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.7 t -58.14 -21.92 48.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 65.41 111.185 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.83 15.73 14.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 71.41 110.865 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 69.72 -73.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.774 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -164.3 23.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 75.3 110.87 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 119' ' ' SER . 88.9 t -74.39 -43.82 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.05 111.091 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.572 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -75.83 -23.37 55.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.066 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.64 -48.81 9.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 72.23 112.501 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -57.03 -46.95 81.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 74.12 110.905 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.628 HD13 HG23 ' A' ' 96' ' ' THR . 2.6 mt -74.3 -30.39 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 72.31 111.106 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.639 ' HB3' ' HB3' ' A' ' 22' ' ' TRP . . . -46.28 -33.45 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 73.42 111.104 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.46 ' HB3' ' HB ' ' A' ' 11' ' ' THR . . . -52.8 -54.05 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 71.12 111.144 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.08 68.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 60.1 111.125 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.693 HD13 ' CD1' ' A' ' 102' ' ' LEU . 14.5 mt -53.19 -67.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.924 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -65.82 -21.26 66.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.111 -0.495 . . . . 75.11 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -47.58 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 62.3 111.16 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 110' ' ' TYR . 99.6 t -71.95 -44.65 66.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.41 111.068 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -51.29 -47.86 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.04 110.891 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.641 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.8 mptt -76.6 -29.9 56.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 60.01 110.893 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.62 -33.5 46.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 64.42 111.1 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.8 t -73.71 -28.63 61.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 64.01 110.918 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -70.86 -38.68 73.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 52.01 110.889 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.68 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -87.42 4.45 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 72.13 110.933 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.9 25.61 31.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 52.12 112.453 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 68' ' ' LEU . 10.3 m -114.48 149.19 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.402 . . . . 64.41 111.108 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.81 149.62 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.911 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.634 ' O ' HG23 ' A' ' 74' ' ' ILE . 12.9 pt -100.47 179.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 51.14 111.14 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.91 123.01 12.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.823 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.634 HG23 ' O ' ' A' ' 72' ' ' ILE . 1.1 pp -130.02 -171.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 63.21 111.098 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.525 ' HB2' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER 55.68 49.7 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 65.42 110.869 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.673 ' NE2' ' HB1' ' A' ' 82' ' ' ALA . 55.9 t-80 58.88 96.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.843 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -87.88 7.35 31.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 60.31 110.853 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.48 36.03 15.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.92 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.492 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . . . -99.77 -169.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 63.04 111.09 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.5 -21.13 48.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 63.42 112.44 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.467 HG23 ' CZ3' ' A' ' 84' ' ' TRP . 12.1 mm -80.05 -46.03 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.348 . . . . 74.24 111.113 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.673 ' HB1' ' NE2' ' A' ' 76' ' ' HIS . . . -71.66 -9.65 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 74.3 111.049 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -75.99 -56.05 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 70.23 110.869 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.566 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.48 -19.22 42.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 75.22 110.979 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -48.69 -28.77 3.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 53.3 111.126 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 p -64.71 -41.43 95.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 73.21 111.176 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.92 98.49 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 51.03 112.523 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -100.3 -62.74 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 63.33 110.933 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -100.19 159.21 15.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 64.31 110.859 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.47 87.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 62.24 110.932 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . . . -80.34 1.3 29.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 75.14 111.113 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -44.86 -32.12 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.14 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -82.66 54.54 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 71.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -152.47 -174.11 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.87 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -108.59 -13.46 14.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 75.01 110.846 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.628 HG23 HD13 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -53.43 -26.9 21.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.43 111.175 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -49.85 -40.15 41.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.909 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.58 -31.53 10.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 72.23 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.43 ' CE2' HG21 ' A' ' 115' ' ' VAL . 88.6 t80 -54.09 -54.75 35.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.907 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -54.94 -32.73 61.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 61.23 111.109 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -74.81 -47.25 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.884 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.693 ' CD1' HD13 ' A' ' 59' ' ' LEU . 6.7 mt -64.02 -15.77 60.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.899 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.26 -66.15 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 62.03 110.937 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -51.15 -32.59 23.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.841 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -41.68 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 73.41 110.789 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.418 ' CD1' HG11 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -128.55 31.18 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.856 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.83 126.8 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 72.53 110.896 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.94 -20.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 54.13 112.46 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -33.88 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 73.03 111.127 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.505 ' CE1' HG21 ' A' ' 62' ' ' VAL . 4.7 p90 -118.77 177.86 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.945 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.569 ' H ' HG22 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -150.17 152.13 34.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 51.33 110.822 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -166.69 138.27 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.91 173.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 72.01 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.512 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -51.66 139.69 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 63.51 110.921 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -132.76 103.81 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 75.35 111.111 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -74.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 62.24 110.893 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . . . -178.08 158.43 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 64.51 111.124 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -176.82 151.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.797 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.606 ' O ' HG13 ' A' ' 51' ' ' VAL . 58.5 m -70.69 -74.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 73.42 110.873 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -177.24 179.74 47.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 61.14 112.5 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.31 -169.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 73.2 110.82 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -99.36 8.68 44.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 65.51 110.921 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -75.98 -30.84 58.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.808 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.775 ' O ' HG22 ' A' ' 127' ' ' VAL . 11.0 p30 -74.34 -38.33 63.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.898 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -54.75 -24.72 23.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.88 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.07 -34.27 42.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.916 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.775 HG22 ' O ' ' A' ' 124' ' ' ASN . 34.8 m -55.22 -25.15 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 71.35 111.158 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -46.58 90.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 72.44 110.855 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -49.25 33.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 72.1 110.877 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -54.92 34.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.937 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.55 -34.8 59.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 73.25 111.093 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.637 ' HG2' HD12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -52.61 -30.94 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.879 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.63 -32.81 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.02 110.808 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -69.79 -41.97 74.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.42 111.098 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.54 -24.62 62.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 64.25 110.93 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.3 31.8 7.37 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.768 -0.73 . . . . 51.43 112.44 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.637 HD12 ' HG2' ' A' ' 132' ' ' LYS . 20.9 mt -90.87 137.92 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 70.05 111.18 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -170.29 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.914 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.479 ' C ' HD23 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -179.33 151.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 75.14 110.882 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.479 HD23 ' C ' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -147.28 72.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.996 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.92 -175.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.876 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -164.03 175.55 10.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 62.03 110.845 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.04 170.14 20.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 72.1 110.83 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -172.04 168.02 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.926 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -162.36 173.75 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.824 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 128.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.05 110.855 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.847 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.762 0.315 . . . . 72.23 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.79 -171.89 3.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.839 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.616 ' CG ' HG23 ' A' ' 5' ' ' THR . 18.1 t0 -174.07 144.05 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 64.25 110.855 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.61 24.15 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.902 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.616 HG23 ' CG ' ' A' ' 3' ' ' ASP . 48.2 p -66.99 168.09 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 61.32 111.174 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 179.96 33.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.93 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -151.11 159.81 44.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 71.4 111.002 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.403 ' OD1' HG12 ' A' ' 127' ' ' VAL . 15.9 t70 -51.64 158.9 0.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.195 -0.457 . . . . 65.33 110.882 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.665 HG12 HG23 ' A' ' 11' ' ' THR . 55.9 t -91.49 142.54 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 61.24 111.15 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -71.52 79.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 64.53 110.881 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.812 ' O ' HG21 ' A' ' 127' ' ' VAL . 19.2 p -128.04 164.91 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 75.23 111.124 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.49 102.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 72.01 110.866 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.0 85.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.792 -0.718 . . . . 52.53 112.518 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -175.76 145.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 40.13 110.831 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -179.31 161.47 1.09 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 71.13 111.017 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.6 p -140.33 115.06 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.066 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 70.37 -70.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 65.55 110.924 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.93 21.76 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.839 -0.696 . . . . 55.52 112.505 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -177.44 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 74.01 110.921 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -116.59 134.63 54.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 64.33 110.932 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.8 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -128.71 165.75 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 73.34 111.007 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -140.34 130.67 25.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.909 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -138.39 150.35 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 63.24 111.165 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -153.3 156.09 37.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 63.13 110.86 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.48 129.23 45.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 64.51 111.118 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.545 ' CE2' HD11 ' A' ' 68' ' ' LEU . 2.4 m-85 -114.38 140.08 48.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.867 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -142.79 138.69 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 60.2 111.07 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.8 132.43 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 62.22 110.873 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 68.13 11.59 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.883 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.96 27.69 25.51 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.743 -0.741 . . . . 60.44 112.465 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -149.65 159.53 44.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.369 . . . . 75.42 110.922 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -54.98 119.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.161 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -107.78 -51.62 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 54.24 110.814 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -130.21 166.68 19.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 72.12 110.931 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.63 100.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 74.34 110.898 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.14 130.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.864 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.515 ' CB ' ' HB2' ' A' ' 23' ' ' ALA . . . -103.43 173.88 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 70.24 111.072 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -157.35 172.35 18.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.873 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 ' HB2' ' A' ' 21' ' ' ALA . 13.4 m -122.44 166.08 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 72.45 111.098 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.56 -143.76 12.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 61.34 112.473 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 34.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 64.03 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -102.17 149.04 36.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.608 0.718 . . . . 72.13 110.877 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' O ' HG23 ' A' ' 47' ' ' THR . 54.7 Cg_endo -69.73 -49.02 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.704 2.269 . . . . 75.51 112.342 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.647 ' HB1' ' CE1' ' A' ' 95' ' ' PHE . . . -65.09 -42.04 94.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 63.12 111.088 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.66 -14.25 60.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 54.23 111.078 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.67 17.99 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 74.34 111.071 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 43' ' ' PRO . 2.2 p -117.53 -19.24 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.161 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.588 ' O ' HG23 ' A' ' 51' ' ' VAL . 66.2 mmm -94.51 20.31 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 73.44 110.815 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 66.43 -78.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 75.55 110.905 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -155.09 18.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.838 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 48' ' ' MET . 24.7 t -73.8 -48.42 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.15 111.125 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.474 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -65.17 -49.53 69.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 35.24 111.104 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.76 -20.79 62.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 44.53 112.492 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.23 -55.65 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 63.55 110.848 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.62 -30.84 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.23 111.114 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.23 -33.01 4.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.099 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -59.17 -57.83 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 54.11 111.111 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.79 -37.13 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 64.31 111.166 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.579 HD11 ' CD1' ' A' ' 99' ' ' TYR . 7.2 mt -58.02 -67.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.923 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -57.57 -31.96 66.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 73.22 110.985 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -56.73 -39.67 74.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 70.44 111.067 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 58' ' ' ALA . 83.6 t -76.37 -44.25 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.55 111.045 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -51.37 -49.84 60.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.835 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.671 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.87 -31.34 56.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 54.32 110.961 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.31 -35.17 49.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.134 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.0 t -72.53 -28.79 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.904 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -70.27 -38.79 75.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 60.02 110.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -85.36 4.58 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.43 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.29 20.22 43.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.789 -0.719 . . . . 64.1 112.451 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 68' ' ' LEU . 8.5 m -109.89 178.1 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.965 0.412 . . . . 63.34 111.093 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -130.59 -170.93 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 74.11 110.883 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.1 pt -139.56 142.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.23 111.098 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -87.12 114.93 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 73.2 110.831 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.555 HD12 ' CD2' ' A' ' 112' ' ' PHE . 2.9 pt -158.64 23.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.14 111.094 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.15 108.04 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 72.04 110.891 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.98 19.73 10.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 65.22 110.871 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.709 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 16.4 p-10 -58.05 147.41 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 60.42 110.878 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -92.3 44.44 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.979 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.64 -172.2 3.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 51.43 111.092 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.45 -33.69 40.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 64.12 112.458 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.601 HG21 ' CD1' ' A' ' 112' ' ' PHE . 1.2 mp -69.34 -31.62 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 51.31 111.109 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 77' ' ' ASP . . . -62.17 -36.58 82.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.057 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -24.21 16.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.812 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.664 ' CE3' HG21 ' A' ' 115' ' ' VAL . 12.1 t90 -78.62 -27.41 45.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 75.44 110.912 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.745 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -81.91 -10.94 59.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 44.44 111.182 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.2 p -67.87 -41.42 82.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.14 111.128 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.15 75.47 2.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 75.33 112.489 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -51.6 -30.3 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 74.32 110.882 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -76.82 118.91 19.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -60.37 105.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.888 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 118' ' ' HIS . . . -76.72 -48.88 17.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 60.24 111.101 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -82.21 -31.0 30.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.871 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 63.23 36.42 11.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 51.21 110.858 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 179.2 153.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 72.45 110.875 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.647 ' CE1' ' HB1' ' A' ' 44' ' ' ALA . 3.5 m-85 71.43 -70.16 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.861 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.79 -46.86 71.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.141 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -53.83 -44.74 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.939 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.01 98.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 64.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.579 ' CD1' HD11 ' A' ' 59' ' ' LEU . 19.7 m-85 -53.74 -34.48 59.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 73.13 110.891 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.7 -27.11 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 60.53 111.084 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -74.6 -45.4 45.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.568 ' CD1' HD13 ' A' ' 59' ' ' LEU . 12.0 mt -54.89 -22.9 16.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 70.12 110.93 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.2 ttt -51.8 -66.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 64.2 110.849 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -55.34 -30.6 60.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 75.01 110.885 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -46.14 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 71.24 110.959 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -131.03 35.91 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 74.41 110.943 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.38 128.45 34.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 64.1 110.866 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.6 -20.85 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 43.35 112.523 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.73 -33.58 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 75.55 111.065 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.492 ' HB2' HD11 ' A' ' 74' ' ' ILE . 20.6 p90 -112.46 177.49 4.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 72.14 110.925 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.19 129.1 19.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 62.45 110.808 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.601 ' CD1' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -141.92 173.12 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.895 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.99 148.87 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 63.24 110.839 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.45 101.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.911 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.745 HG23 ' HA ' ' A' ' 85' ' ' ALA . 2.0 p -108.47 150.56 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 62.52 111.062 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -130.49 -75.67 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 75.3 110.872 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 90' ' ' LYS . . . -175.95 136.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 71.04 111.09 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.587 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 18.1 t-80 -158.83 -82.1 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 74.55 110.84 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.4 p 177.44 -175.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 73.12 110.856 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.31 157.13 25.69 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.735 -0.745 . . . . 75.22 112.443 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.28 -77.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 63.34 110.942 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.82 -17.55 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -50.51 -36.99 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 65.31 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.792 ' O ' HG22 ' A' ' 127' ' ' VAL . 0.4 OUTLIER -76.36 -41.2 48.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 64.12 110.934 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.73 -24.67 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 64.41 110.852 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.9 -36.45 48.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.925 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.812 HG21 ' O ' ' A' ' 11' ' ' THR . 34.6 m -56.45 -23.57 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 61.4 111.165 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -62.06 -53.22 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 74.31 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 12.3 ttp -71.57 -32.85 68.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.54 110.883 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.66 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 74.33 110.937 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.82 71.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 53.23 111.069 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -52.05 -34.29 42.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.882 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.6 m -59.33 -41.27 88.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.756 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.54 -42.89 75.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 51.34 111.076 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.44 -24.23 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.902 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.47 41.73 9.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 54.12 112.479 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.53 151.12 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 52.55 111.133 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -176.38 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 53.41 110.844 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.38 78.74 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 43.41 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.23 173.76 6.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.95 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.48 -171.59 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 61.05 110.84 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -117.5 156.94 27.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.823 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.64 159.69 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.43 110.85 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -177.16 172.2 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.03 110.803 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -175.76 -64.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 63.02 110.845 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 69.27 -75.82 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 62.42 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.871 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.753 0.311 . . . . 64.21 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.03 179.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 71.51 110.85 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.21 -169.25 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.865 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -165.37 31.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.15 110.852 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 p -50.14 153.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.12 111.096 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 43.4 tp10 -51.52 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.826 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.43 -74.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.918 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -89.76 153.06 20.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.919 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.672 HG12 HG23 ' A' ' 11' ' ' THR . 75.0 t -93.49 146.42 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.51 111.203 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -70.07 79.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 75.33 110.913 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.672 HG23 HG12 ' A' ' 9' ' ' VAL . 82.2 p -135.42 178.31 7.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 72.11 111.135 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 64.07 102.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.85 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.72 -152.15 20.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 65.15 112.489 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.87 146.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 73.33 110.926 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -179.72 156.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 53.12 110.937 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -141.67 113.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.42 111.142 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 70.06 -71.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 70.21 110.824 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.5 26.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 64.1 112.471 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.93 -175.59 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.836 0.35 . . . . 72.11 110.864 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -129.57 135.54 48.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.938 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.16 169.3 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.25 111.17 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -135.92 130.47 33.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 72.1 110.883 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.552 ' O ' HG22 ' A' ' 11' ' ' THR . . . -131.83 166.22 22.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 70.35 111.136 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.83 159.31 26.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 65.04 110.879 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.43 119.9 40.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 63.02 111.099 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.668 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.2 m-85 -106.45 136.84 45.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.84 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 31' ' ' LYS . 4.3 t -148.39 131.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.121 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.65 134.87 52.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 65.3 110.958 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t0 66.39 13.24 9.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.27 -0.423 . . . . 71.14 110.892 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.6 23.43 36.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 72.11 112.425 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.1 ptpt -149.5 161.29 42.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 71.5 110.874 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.99 128.14 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.35 111.107 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -106.44 -59.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.85 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.84 134.46 11.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 71.53 110.883 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -126.85 132.77 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 41.43 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.37 107.91 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 72.11 110.878 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.44 -178.64 7.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 71.41 111.145 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -157.16 148.02 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 75.04 110.827 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 40' ' ' GLY . 21.2 t -113.43 155.33 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 60.04 111.163 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -107.64 -161.07 21.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 34.44 112.522 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.65 33.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 62.41 110.851 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -90.01 154.59 47.45 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.678 0.752 . . . . 75.11 110.9 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 44.45 112.398 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.17 -21.63 64.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 73.14 111.057 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.57 -25.42 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 72.45 111.06 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.67 17.54 19.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 55.04 111.16 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -118.79 -13.5 9.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 70.31 111.217 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 90.6 mmm -95.52 32.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 73.1 110.977 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.554 ' HB2' HG23 ' A' ' 51' ' ' VAL . 1.5 mtt180 63.59 28.13 15.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 70.3 110.913 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 64.0 15.68 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 61.13 110.843 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.554 HG23 ' HB2' ' A' ' 49' ' ' ARG . 95.2 t -72.75 -43.03 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.1 111.14 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.29 -39.29 56.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 72.01 111.102 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.31 -33.57 58.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.745 -0.74 . . . . 71.02 112.488 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.17 -54.29 48.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 54.14 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 mt -67.78 -31.27 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 74.52 111.17 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -47.29 -42.29 20.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.117 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.07 -48.56 61.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 71.41 111.085 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.4 -40.68 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 61.42 111.131 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.6 mt -58.23 -67.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 71.03 110.846 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.436 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 30.2 m-85 -56.14 -32.43 64.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 65.32 110.957 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.18 83.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 74.34 111.061 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.472 HG21 ' CE1' ' A' ' 110' ' ' TYR . 68.9 t -76.02 -44.49 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 72.45 111.079 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -51.49 -46.63 63.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 53.21 110.946 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.711 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.82 -30.12 56.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 62.23 110.909 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.06 -31.39 30.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 73.11 111.073 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.6 t -76.17 -28.46 57.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 65.23 110.895 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -73.36 -46.85 46.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 70.13 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -75.68 -5.16 44.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 63.43 110.867 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.97 11.77 58.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 71.12 112.446 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 m -97.53 173.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 61.21 111.141 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -138.23 148.5 44.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.943 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.635 ' O ' HG23 ' A' ' 74' ' ' ILE . 5.6 pt -100.04 -178.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 73.13 111.077 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 128.27 25.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.635 HG23 ' O ' ' A' ' 72' ' ' ILE . 24.6 pt -134.43 -171.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 64.25 111.151 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.55 -75.85 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.95 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -144.76 63.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 63.12 110.877 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -51.56 -52.96 42.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 72.52 110.841 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.767 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 0.1 OUTLIER 50.3 42.21 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 63.13 110.901 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.01 37.53 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 51.41 111.145 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.87 -76.92 0.4 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 44.21 112.476 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.94 -41.88 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 64.23 111.205 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.767 ' HB3' ' HA ' ' A' ' 78' ' ' TYR . . . -74.26 -23.31 59.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.23 111.124 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -55.3 27.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.908 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.578 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.15 -26.01 36.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.918 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.536 ' HB2' HG12 ' A' ' 115' ' ' VAL . . . -60.13 -19.55 54.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 52.24 111.07 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 82' ' ' ALA . 44.3 p -65.03 -20.33 66.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 62.4 111.103 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.24 72.84 0.54 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.699 -0.762 . . . . 71.11 112.471 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -99.83 -48.94 4.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 73.13 110.921 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.51 158.36 38.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.95 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 154.71 39.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 71.31 110.856 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.91 -17.0 55.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 63.45 111.09 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.58 -31.16 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.53 110.863 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.76 113.44 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 74.54 110.844 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -73.01 -172.04 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.925 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 71.3 -69.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 71.05 110.882 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -44.65 93.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 72.43 111.177 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -42.14 49.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 72.35 110.946 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.3 -35.91 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.069 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -54.19 -54.02 45.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.921 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.406 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -55.64 -29.05 58.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.23 111.133 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -49.96 20.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 61.2 110.902 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.626 ' CD1' HD13 ' A' ' 59' ' ' LEU . 59.6 mt -61.64 -18.11 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.925 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -66.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 65.25 110.858 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -54.47 -32.32 57.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 51.33 110.906 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -48.99 53.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 72.34 110.893 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -124.04 31.83 5.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 75.21 110.898 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 133.25 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 72.22 110.914 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.66 -19.63 0.69 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.652 -0.785 . . . . 63.44 112.399 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.1 -33.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 54.23 111.153 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.472 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.4 p90 -125.5 178.07 5.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 73.01 110.885 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -167.42 161.65 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.851 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -156.73 172.35 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.818 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -170.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 70.12 110.856 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -75.94 68.03 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 73.13 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.1 m -56.88 120.7 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.1 111.115 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -112.36 -75.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.889 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.578 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -179.77 139.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 62.15 111.112 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -159.75 153.45 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.41 110.853 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -75.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 52.25 110.861 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 167.13 167.17 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 64.41 112.537 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -174.71 -161.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.744 0.307 . . . . 62.15 110.919 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.41 8.67 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.91 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -50.17 -36.94 32.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 73.12 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.819 ' O ' HG22 ' A' ' 127' ' ' VAL . 14.9 p-10 -76.56 -39.93 51.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.877 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.59 -24.56 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 63.1 110.859 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -59.72 -44.54 93.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.45 . . . . 70.33 110.877 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 124' ' ' ASN . 6.0 m -55.87 -21.2 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 72.31 111.18 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.14 -47.24 85.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 62.44 110.87 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 13.6 ttp -72.97 -44.54 60.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -53.68 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.01 110.889 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.06 -34.06 54.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 74.22 111.083 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -30.93 33.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.865 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.07 -37.53 38.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 75.54 110.801 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 6' ' ' GLU . . . -64.43 -42.87 95.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 71.41 111.094 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER -64.65 -49.97 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.11 110.926 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.6 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 120.49 82.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 74.1 112.556 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 41.1 mm -115.15 141.54 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 72.11 111.126 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 171.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.132 -0.485 . . . . 74.54 110.929 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.23 149.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 73.01 110.902 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.33 73.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 62.34 110.867 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -175.99 -174.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 54.22 110.923 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -166.04 97.83 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 72.03 110.871 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -174.63 170.77 3.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.882 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 62.96 103.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 75.31 110.833 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.15 124.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.823 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -137.8 -65.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.04 110.928 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.927 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.831 0.348 . . . . 65.45 110.783 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.85 159.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 52.43 110.896 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.51 139.63 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.874 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -106.86 20.08 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -94.47 159.85 14.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.107 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -179.35 50.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 63.23 110.872 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -131.87 -86.89 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.901 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -153.56 156.15 37.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 65.21 110.824 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.569 HG12 HG23 ' A' ' 11' ' ' THR . 47.4 t -100.75 139.37 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 75.44 111.076 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.603 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 33.7 t80 -72.62 78.27 1.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.905 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.616 ' O ' HG21 ' A' ' 127' ' ' VAL . 2.8 p -120.02 178.38 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 41.44 111.183 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.43 90.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 53.01 110.93 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.68 -93.63 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 65.34 112.504 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 p -176.99 -75.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 72.15 110.888 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 p90 179.48 172.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.96 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.0 p -141.68 109.93 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 73.5 111.123 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 69.69 -71.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 64.43 110.853 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.45 20.52 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 74.41 112.464 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.2 -176.25 3.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 62.54 110.903 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -110.81 134.44 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 60.23 110.985 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.627 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -121.01 171.93 8.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 61.33 111.031 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -155.7 130.49 9.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.647 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -129.75 175.65 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 62.41 111.141 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.31 171.27 20.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 63.2 110.924 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . . . -115.85 126.97 54.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 53.32 111.162 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -110.07 139.96 44.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 72.15 110.905 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.4 t -144.17 132.03 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 73.52 111.137 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.55 132.55 49.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 70.15 110.858 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 67.58 11.88 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 74.13 110.837 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.75 26.13 23.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 63.42 112.462 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.8 ptpt -149.47 162.36 40.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 75.41 110.88 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.51 120.9 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 70.24 111.152 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -107.71 -48.55 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.893 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.04 177.51 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.909 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.38 111.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.888 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.22 -176.93 1.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.934 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.647 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -155.69 172.67 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 72.34 111.089 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -153.98 168.35 26.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 55.35 110.914 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 21' ' ' ALA . 21.4 m -118.54 156.92 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.41 111.108 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.17 151.15 18.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.691 -0.766 . . . . 74.11 112.475 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 47.47 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 73.43 110.916 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -94.94 156.42 38.01 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 54.34 110.886 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -42.68 3.15 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.743 2.295 . . . . 75.41 112.306 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.63 -31.66 59.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 70.4 111.054 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.58 -52.05 10.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 13.52 111.082 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.99 -39.79 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 74.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -41.77 78.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 73.53 111.119 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.4 mmm -118.48 59.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 55.24 110.87 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.95 161.52 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.877 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.5 t30 72.38 -69.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.867 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 119' ' ' SER . 99.7 t -52.31 -46.4 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 70.32 111.114 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.89 -27.24 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.092 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.14 -51.63 42.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 72.02 112.431 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.67 -43.1 72.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 74.14 110.898 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 51' ' ' VAL . 6.9 mt -73.77 -32.46 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 63.43 111.123 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.29 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 32.31 111.092 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.97 -47.21 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 52.1 111.059 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.64 -40.83 63.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.24 111.077 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.7 mt -56.91 -67.03 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.414 . . . . 75.21 110.892 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -57.39 -36.18 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 65.34 110.952 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.54 -38.58 78.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 70.03 111.078 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 58' ' ' ALA . 87.1 t -76.13 -45.29 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 61.53 111.089 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -51.93 -45.93 64.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.891 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 68' ' ' LEU . 8.6 mttt -76.29 -31.42 58.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.293 -0.412 . . . . 62.01 110.859 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.8 -31.77 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.34 111.133 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.475 ' HB2' HD12 ' A' ' 109' ' ' ILE . 6.5 t -76.3 -33.78 59.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 72.14 110.906 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -63.97 -40.53 96.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 54.44 110.903 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.3 mp -83.81 2.43 38.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.846 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.73 21.6 36.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 72.23 112.485 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 68' ' ' LEU . 5.6 m -112.01 -179.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 72.02 111.087 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.84 157.46 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.883 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.8 pt -99.57 179.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.45 111.177 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.3 126.06 45.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.471 HG22 ' CE2' ' A' ' 112' ' ' PHE . 2.5 pp -139.09 -35.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.41 111.129 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 74' ' ' ILE . 1.1 mm? -48.65 -74.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.939 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -92.71 44.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.85 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.458 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -91.17 -55.87 3.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 64.52 110.863 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 58.41 22.58 9.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.471 . . . . 34.1 110.915 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB2' ' OD2' ' A' ' 77' ' ' ASP . . . -70.07 174.19 5.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 74.44 111.16 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.95 -23.88 32.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 71.54 112.51 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.64 -46.35 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 75.12 111.139 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.645 ' HB2' ' HE1' ' A' ' 112' ' ' PHE . . . -71.86 -26.11 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 54.11 111.053 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -56.84 -56.56 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 75.44 110.928 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.95 -17.79 45.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 75.24 110.928 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.534 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -54.1 -24.16 16.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 54.02 111.162 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.5 p -64.27 -19.91 65.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 74.32 111.161 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.86 87.05 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.763 -0.732 . . . . 74.11 112.527 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -99.9 -51.03 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 52.2 110.867 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.08 140.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 61.11 110.897 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 88.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.23 110.873 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.57 -49.07 15.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.21 111.056 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -54.93 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.895 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 51.36 65.38 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 51.42 110.843 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -159.4 -74.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 75.1 110.88 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -101.57 -35.73 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.874 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.458 HG21 ' H ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.57 -34.81 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.217 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 15.4 mt-30 -65.0 -41.28 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.924 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.11 -32.95 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.35 111.145 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.444 ' HD1' HD21 ' A' ' 59' ' ' LEU . 74.1 t80 -53.51 -54.48 36.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.919 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -54.47 -30.53 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 64.33 111.041 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -74.64 -45.53 44.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 64.52 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.527 ' CD1' HD13 ' A' ' 59' ' ' LEU . 85.9 mt -66.93 -22.52 65.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.899 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.8 ttt -55.34 -67.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 54.51 110.877 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -55.84 -30.34 61.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.85 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -43.95 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.919 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.99 36.82 3.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.9 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 162.76 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.953 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.32 -51.87 0.81 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 62.42 112.462 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -76.87 -27.76 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 72.22 111.139 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -128.93 177.53 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.971 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 m -155.51 161.72 40.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 74.05 110.846 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.645 ' HE1' ' HB2' ' A' ' 82' ' ' ALA . 1.6 m-85 -170.51 170.5 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.43 110.838 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.46 172.48 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 71.32 110.912 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -70.03 83.34 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 70.4 110.871 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 100' ' ' ALA . 3.8 m -62.33 149.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 63.22 111.098 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -129.27 -73.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 63.15 110.922 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.424 ' HB2' ' HG2' ' A' ' 97' ' ' GLN . . . 178.23 97.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 62.14 111.096 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.458 ' H ' HG21 ' A' ' 96' ' ' THR . 19.7 t-80 -176.26 152.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 63.25 110.847 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.642 ' HB3' HG13 ' A' ' 51' ' ' VAL . 1.3 m -177.12 160.09 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.01 110.916 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.37 82.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 53.12 112.484 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -179.84 177.0 0.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.754 0.311 . . . . 73.33 110.909 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -95.28 3.62 54.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 65.24 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -52.15 -29.56 22.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.792 ' O ' HG22 ' A' ' 127' ' ' VAL . 5.3 p-10 -77.07 -49.44 15.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 70.14 110.879 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.87 -24.13 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 63.34 110.871 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -52.07 -28.93 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.971 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.792 HG22 ' O ' ' A' ' 124' ' ' ASN . 22.1 m -57.4 -20.24 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 64.43 111.144 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -59.08 -52.82 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.826 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -40.43 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.891 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -53.33 59.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 71.33 110.976 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.92 -34.39 55.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 54.44 111.111 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -52.57 -39.09 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 71.23 110.88 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -32.38 44.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 75.12 110.822 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.91 74.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 33.43 111.093 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -83.13 -46.94 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 55.13 110.95 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.586 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 117.65 88.45 1.3 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.758 -0.734 . . . . 35.54 112.501 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 42.4 mm -115.74 144.04 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 63.05 111.135 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 171.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 72.13 110.888 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.27 -179.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 63.22 110.835 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.17 -175.35 5.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.3 110.914 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -54.24 127.38 26.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 54.33 110.93 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -167.94 146.64 4.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.882 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -164.61 98.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.899 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -175.44 133.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 73.2 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -170.44 30.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 73.21 110.904 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 55.45 -174.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.83 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 74.42 110.926 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.352 . . . . 74.11 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.63 179.06 8.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 73.24 110.85 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -142.55 -170.81 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.854 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -116.14 23.13 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.12 110.945 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 p -62.74 149.74 43.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 53.51 111.146 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.11 -53.67 6.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.878 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 179.61 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.91 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -82.73 165.12 20.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.862 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.654 HG12 HG23 ' A' ' 11' ' ' THR . 67.8 t -111.43 142.96 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.12 111.151 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.34 79.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.2 110.904 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.654 HG23 HG12 ' A' ' 9' ' ' VAL . 24.0 p -122.53 178.76 4.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 74.34 111.17 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.73 85.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 61.45 110.856 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.92 85.79 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 42.12 112.473 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.39 141.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 74.23 110.808 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -179.34 161.67 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.501 . . . . 73.05 110.971 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.7 p -135.51 115.55 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 65.22 111.14 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 70.35 -70.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 71.03 110.84 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.24 22.43 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 50.13 112.515 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.98 -177.91 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 72.15 110.904 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -109.82 134.59 51.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 70.11 110.879 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.979 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -134.2 173.13 11.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 55.33 111.09 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 -144.13 130.41 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.901 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -138.11 132.68 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 72.51 111.086 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -136.58 144.89 44.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.963 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.31 129.3 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 33.4 111.085 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE2' HD11 ' A' ' 68' ' ' LEU . 2.0 m-85 -117.32 128.14 54.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.54 110.833 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -150.46 109.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.51 111.167 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 142.77 47.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.873 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t0 73.72 6.73 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.843 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.01 26.7 28.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 71.44 112.491 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -149.92 162.68 39.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 72.24 110.833 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.96 114.36 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 63.21 111.112 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -95.79 -39.55 9.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 72.51 110.837 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 -179.19 5.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.87 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.14 -177.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 73.1 110.875 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.39 164.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 64.23 110.866 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 23' ' ' ALA . . . -128.66 -173.51 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.12 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -153.38 156.77 38.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 51.35 110.897 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.979 HG12 ' HB2' ' A' ' 21' ' ' ALA . 25.7 m -112.47 172.74 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 54.32 111.074 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.63 -152.38 10.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.796 -0.716 . . . . 72.31 112.51 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 34.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 73.12 110.933 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.95 151.88 38.02 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.629 0.728 . . . . 75.41 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.91 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 64.11 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.84 -24.85 62.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 72.42 111.12 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.18 -57.15 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 51.43 111.144 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.12 -38.82 71.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 44.12 111.126 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -57.87 -24.38 57.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 62.01 111.162 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.1 mtp -95.15 17.67 13.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.846 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 69.85 -73.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.845 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -162.74 22.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 62.4 110.947 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 48' ' ' MET . 32.4 t -74.4 -50.88 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.097 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.516 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -63.65 -40.59 97.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 72.21 111.046 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.04 -24.46 35.24 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.798 -0.715 . . . . 54.2 112.484 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -73.46 -54.42 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 75.43 110.934 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.477 HG21 ' CG ' ' A' ' 99' ' ' TYR . 10.9 mt -69.51 -31.62 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.1 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.66 -31.93 7.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 70.31 111.067 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.62 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 64.43 111.106 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.6 -31.69 37.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 74.44 111.062 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.54 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.3 mt -61.68 -67.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 60.32 110.932 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.27 -30.56 66.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.96 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -59.63 -40.23 86.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 72.23 111.13 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.481 HG21 ' CE1' ' A' ' 110' ' ' TYR . 91.7 t -76.17 -45.29 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.127 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -53.51 -48.14 69.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.904 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.708 ' O ' HD12 ' A' ' 68' ' ' LEU . 15.5 mmtt -76.85 -30.63 56.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 74.41 110.927 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -51.93 -35.33 45.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 61.44 111.056 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.422 ' HB2' HD12 ' A' ' 109' ' ' ILE . 4.1 t -70.34 -28.48 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 71.21 110.845 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -73.93 -39.88 63.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 64.34 110.941 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -86.47 -6.64 58.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.13 35.18 41.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 53.42 112.513 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 68' ' ' LEU . 22.9 m -107.91 -32.65 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 65.22 111.094 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.87 -169.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 73.52 110.863 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 pt -142.42 179.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.31 111.097 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 127.97 31.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.857 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.5 pt -100.68 153.58 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.24 111.139 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.9 mt 65.52 -168.19 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 73.15 110.945 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -49.83 121.2 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 72.43 110.848 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 79' ' ' ALA . 18.4 p-10 -110.43 12.45 23.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 75.15 110.911 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 54.35 25.71 6.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 44.11 110.989 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 77' ' ' ASP . . . -112.71 -169.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 73.33 111.113 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.437 ' HA3' ' ND2' ' A' ' 124' ' ' ASN . . . -70.99 -14.62 73.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 41.13 112.543 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.1 mm -80.08 -45.91 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 72.53 111.113 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.688 ' O ' HG23 ' A' ' 86' ' ' THR . . . -74.66 -35.91 62.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 51.51 111.075 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.7 -48.57 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.54 110.844 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.428 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -80.58 -30.09 36.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.1 110.914 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.03 -14.27 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 43.42 111.101 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 82' ' ' ALA . 62.3 p -64.14 -23.42 67.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 62.23 111.205 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 65.3 67.73 1.92 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 51.03 112.477 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -99.97 -24.72 14.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 74.45 110.818 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -123.51 159.38 29.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.954 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.58 153.98 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 74.03 110.907 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.859 ' HA ' ' HB3' ' A' ' 117' ' ' ALA . . . -76.77 -4.36 43.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.52 111.111 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.47 2.0 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 65.03 110.923 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.42 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 43.15 110.898 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -132.6 -165.02 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 62.41 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -83.46 8.22 14.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 72.53 110.897 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -24.46 11.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.11 111.135 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -47.32 -50.19 22.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.32 83.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.176 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.516 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 10.9 m-85 -54.37 -42.09 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.926 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -65.95 -28.1 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 62.24 111.055 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -73.95 -47.61 36.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.14 110.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.54 ' CD1' HD13 ' A' ' 59' ' ' LEU . 71.4 mt -54.9 -21.48 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 63.15 110.97 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -66.26 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 63.34 110.879 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -53.27 -32.63 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.929 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -49.13 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 73.1 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -121.5 31.02 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 64.54 110.877 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.94 130.14 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 70.43 110.872 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.05 -21.22 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 71.25 112.555 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.21 -33.82 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.797 0.332 . . . . 63.3 111.067 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.481 ' CE1' HG21 ' A' ' 62' ' ' VAL . 6.3 p90 -120.56 178.25 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 70.41 110.945 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.43 156.13 37.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 75.02 110.902 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -164.61 167.67 18.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 62.5 110.835 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -176.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.961 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 81.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 71.2 110.891 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.458 HG23 ' HB1' ' A' ' 100' ' ' ALA . 5.8 m -64.02 131.86 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 70.21 111.111 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.8 mmtt -145.44 -79.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.848 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.859 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . . . 177.93 119.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 75.31 111.053 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -147.28 -78.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 54.5 110.851 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 p 178.64 -175.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 62.23 110.912 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 169.26 137.39 2.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.805 -0.712 . . . . 72.45 112.509 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.32 -75.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.793 0.33 . . . . 73.24 110.877 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -84.0 -31.42 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.879 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -51.02 -35.65 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 62.31 110.878 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.83 ' O ' HG22 ' A' ' 127' ' ' VAL . 0.5 OUTLIER -76.28 -42.39 45.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.862 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -51.55 -24.22 5.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 71.41 110.923 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -51.79 -34.7 41.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 73.53 110.924 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 124' ' ' ASN . 28.6 m -56.46 -23.47 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 71.23 111.082 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -56.1 -51.66 67.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.88 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -49.21 37.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.945 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -36.19 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.869 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.71 64.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 55.35 111.164 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -51.87 -32.49 32.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 72.23 110.888 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.2 t -77.63 -32.31 53.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 60.45 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.88 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 64.05 111.081 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.84 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 53.13 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 137.54 38.19 0.14 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 72.12 112.463 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.3 mm -64.98 -27.45 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 72.32 111.164 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 64.62 119.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 72.43 110.892 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.53 -177.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.926 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.8 178.26 10.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 72.15 110.856 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.33 -175.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 55.41 110.926 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -163.57 80.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 64.12 110.881 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.14 114.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.856 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 103.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 65.13 110.92 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -179.17 63.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 62.32 110.858 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -110.61 132.27 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 73.51 110.877 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.824 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.766 0.317 . . . . 73.33 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -169.1 132.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 74.05 110.864 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -136.3 -168.67 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.54 110.843 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -149.73 18.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.859 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.6 p -80.01 179.67 7.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.46 . . . . 73.14 111.151 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -174.4 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -51.77 163.89 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.911 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.49 155.16 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.956 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.738 HG12 HG23 ' A' ' 11' ' ' THR . 62.5 t -90.59 143.12 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 64.02 111.103 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -70.65 78.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.764 ' O ' HG21 ' A' ' 127' ' ' VAL . 39.5 p -130.65 178.19 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 54.52 111.129 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.31 94.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.899 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.06 -158.08 30.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.807 -0.711 . . . . 72.32 112.562 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p 65.63 149.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 71.34 110.899 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -179.47 137.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.966 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.66 122.5 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 45.21 111.126 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 t30 62.28 -82.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 72.13 110.905 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.37 22.03 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 61.51 112.47 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 -178.02 4.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 70.12 110.925 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -133.14 134.59 44.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.969 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.74 165.52 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 52.1 111.14 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.443 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 10.7 p90 -130.47 154.28 47.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 72.11 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.538 ' O ' HG22 ' A' ' 11' ' ' THR . . . -150.42 160.84 43.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 61.54 111.014 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.436 ' HB3' HG22 ' A' ' 11' ' ' THR . 1.4 p90 -159.54 150.61 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.916 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.51 125.84 48.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 72.02 111.079 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.3 m-85 -109.08 140.28 42.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 63.41 110.932 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.4 t -143.54 126.3 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 51.13 111.209 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -123.81 137.55 54.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 73.32 110.864 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.46 13.03 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 55.42 110.869 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.31 15.89 58.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 71.22 112.482 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -138.85 166.0 25.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.745 0.307 . . . . 73.31 110.949 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.63 121.63 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 73.42 111.121 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -107.67 -51.71 2.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 71.52 110.86 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.1 172.45 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.24 110.921 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.98 111.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 71.33 110.842 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -178.6 162.4 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.859 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 22' ' ' TRP . . . -132.19 166.87 20.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 41.42 111.124 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -135.91 145.3 46.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 64.44 110.867 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.3 t -110.2 155.5 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 64.13 111.105 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -111.88 -162.96 16.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 64.33 112.505 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 44.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 51.02 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -108.75 155.66 40.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 75.44 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.4 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.244 . . . . 65.4 112.325 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.48 ' HB1' ' CD1' ' A' ' 95' ' ' PHE . . . -54.02 -27.28 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 70.24 111.095 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.2 -52.68 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 43.13 111.083 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.7 -24.07 46.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 72.13 111.039 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.495 HG21 ' CZ ' ' A' ' 95' ' ' PHE . 11.6 t -70.63 -9.95 58.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 74.51 111.143 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.35 25.49 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 72.25 110.872 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 64.31 -82.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 53.5 110.887 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -153.78 19.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 43.24 110.897 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.46 -40.58 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 63.44 111.127 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.623 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -76.36 -24.21 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 54.11 111.081 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.6 -20.52 78.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 74.13 112.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.15 -36.46 66.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 75.44 110.928 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.541 HD13 ' CD2' ' A' ' 99' ' ' TYR . 5.5 mt -76.45 -31.43 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 63.13 111.043 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.401 ' HA ' ' HG ' ' A' ' 59' ' ' LEU . . . -48.68 -31.49 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 63.43 111.1 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.29 -53.29 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.107 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.65 -38.16 59.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 53.02 111.09 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 102' ' ' LEU . 10.0 mt -52.47 -67.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.911 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -65.85 -34.07 77.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 45.14 110.879 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.04 -41.45 75.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 44.53 111.15 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 58' ' ' ALA . 87.0 t -76.45 -47.24 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.18 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -51.06 -49.68 60.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 63.14 110.924 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.719 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -70.67 -28.5 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 61.31 110.909 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . -52.72 -32.78 44.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 72.1 111.114 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.421 ' HB2' HD12 ' A' ' 109' ' ' ILE . 5.6 t -75.9 -28.58 58.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.869 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.21 -41.1 74.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 60.14 110.948 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.5 mp -81.08 -0.49 40.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 61.14 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.75 23.58 58.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.799 -0.715 . . . . 44.55 112.505 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 68' ' ' LEU . 7.4 m -111.4 -172.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 62.14 111.135 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -138.35 149.77 45.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 53.45 110.942 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.7 pt -100.39 -178.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 41.21 111.124 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.08 145.64 12.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 73.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.4 tt -125.72 -43.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 62.23 111.133 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.77 -177.4 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.896 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.11 21.91 8.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.878 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -120.56 118.45 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 54.45 110.823 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -93.84 33.66 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 64.4 110.898 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.4 -169.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 61.13 111.1 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -80.96 -31.81 34.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.798 -0.715 . . . . 64.43 112.497 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.575 HG21 ' CD2' ' A' ' 112' ' ' PHE . 1.8 mp -57.26 -45.98 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 71.35 111.126 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.463 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . . . -76.91 -8.17 56.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.23 111.12 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -79.29 -56.16 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -19.38 42.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.978 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.557 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -54.3 -36.92 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 42.24 111.171 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.8 p -89.53 12.95 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 50.15 111.141 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.66 81.21 0.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 71.52 112.43 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.84 -29.39 19.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 73.01 110.874 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -76.45 125.66 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.94 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -107.96 95.99 6.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 72.02 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.7 -44.5 33.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 32.34 111.116 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -84.22 -53.65 5.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 41.64 39.75 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 65.34 110.839 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -136.69 -47.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 60.21 110.977 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.495 ' CZ ' HG21 ' A' ' 47' ' ' THR . 10.3 m-85 -104.08 -57.69 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 62.3 110.889 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.475 HG21 ' H ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.56 -32.42 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 63.53 111.187 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -52.42 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.15 110.848 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.87 73.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 24.41 111.126 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.623 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 20.3 m-85 -53.11 -44.68 67.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.939 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.489 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -63.02 -31.64 72.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.512 . . . . 62.33 111.068 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -74.66 -44.67 49.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 63.53 110.879 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 59' ' ' LEU . 3.7 mt -54.26 -21.29 8.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.883 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -66.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -53.88 -30.65 46.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 75.53 110.865 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.32 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 54.42 110.905 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.43 ' CD1' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -115.57 25.74 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.915 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -76.68 126.71 31.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 74.14 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 159.0 -22.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 55.0 112.521 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.421 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.89 -33.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 71.41 111.079 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -117.48 178.23 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.891 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.2 t -148.92 161.35 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 44.21 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.575 ' CD2' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -176.2 173.02 2.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 73.35 110.884 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.06 164.89 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 73.25 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -51.59 148.65 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 70.24 110.953 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -132.54 137.11 54.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 65.32 111.105 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -113.93 -78.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.941 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 178.57 119.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.042 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.475 ' H ' HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER 178.6 155.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.829 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 p -179.7 -175.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 63.33 110.784 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 103.2 71.69 0.88 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 60.22 112.469 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.82 -167.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.311 . . . . 72.51 110.887 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.59 11.84 30.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.33 110.858 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -49.52 -28.66 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.757 ' O ' HG22 ' A' ' 127' ' ' VAL . 8.0 p30 -75.52 -41.65 54.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.77 -24.52 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 71.52 110.871 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.42 -38.76 59.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 75.33 110.929 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.764 HG21 ' O ' ' A' ' 11' ' ' THR . 22.0 m -56.19 -22.05 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 62.33 111.098 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -50.03 73.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 64.5 110.817 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 11.6 ttp -72.34 -42.21 65.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 44.13 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -54.06 48.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.45 110.867 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.46 -34.14 56.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.1 111.109 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.48 -31.38 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.885 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.7 m -75.23 -35.56 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 65.02 110.784 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.59 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 71.53 111.121 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.0 mt -74.67 -61.32 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.952 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 130.09 39.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 73.24 112.515 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.5 mm -71.88 153.03 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 70.01 111.168 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.04 165.94 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 71.1 110.855 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.75 -171.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.886 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 141' ' ' GLU . 0.1 OUTLIER -111.89 -178.06 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 62.5 110.941 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.544 ' H ' HD23 ' A' ' 140' ' ' LEU . 1.5 mm-40 -68.69 -74.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 75.21 110.866 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.35 161.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 53.31 110.84 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -179.24 88.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.846 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -133.13 146.16 51.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.819 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -177.92 147.4 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 63.45 110.878 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.76 154.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.85 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 12.8 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 65.23 110.806 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mtp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.783 0.325 . . . . 73.14 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -107.17 166.4 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 60.04 110.865 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -135.68 -168.78 2.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.895 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -162.95 32.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.883 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 p -49.93 155.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 60.4 111.146 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 2.0 mm-40 -51.27 -72.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.949 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -167.98 -67.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.13 110.911 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -92.74 155.62 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 63.21 110.896 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.08 143.31 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 62.45 111.102 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' HB2' ' HB1' ' A' ' 131' ' ' ALA . 69.6 t80 -70.24 79.19 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 73.45 110.928 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.795 HG22 ' HB1' ' A' ' 57' ' ' ALA . 1.4 p -117.07 178.53 4.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 70.03 111.144 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 51.74 30.36 6.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 61.21 110.87 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.72 79.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 61.12 112.447 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.566 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 17.7 p -179.32 104.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.846 0.355 . . . . 65.12 110.839 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -162.39 164.29 27.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.934 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.55 123.05 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 72.21 111.129 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 t30 62.56 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 61.53 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.44 18.4 1.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 75.34 112.458 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -90.78 -175.79 4.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.876 0.369 . . . . 74.21 110.932 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -137.0 134.52 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 72.22 110.957 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.74 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -136.73 156.52 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.15 111.116 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 70.4 p-90 -123.57 130.36 52.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.911 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.663 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -159.98 145.61 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.15 111.181 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 61' ' ' ALA . 4.9 p90 -137.29 175.35 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 64.45 110.951 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.57 146.92 26.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 63.34 111.084 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.78 140.17 51.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.802 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 31' ' ' LYS . 6.0 t -151.48 133.52 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 45.13 111.124 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -128.65 135.3 49.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 71.43 110.897 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.52 12.18 8.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.888 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.75 22.79 35.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 51.54 112.508 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.9 ptpt -149.76 159.26 44.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.808 0.337 . . . . 74.5 110.956 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -54.94 129.15 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.13 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -105.56 -53.15 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.783 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.09 -173.9 3.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 63.35 110.959 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.34 107.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 75.43 110.857 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.47 -177.98 1.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.903 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB1' ' HB2' ' A' ' 23' ' ' ALA . . . -168.95 -175.37 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 73.15 111.111 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.95 151.57 23.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.892 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.74 HG13 ' HB2' ' A' ' 21' ' ' ALA . 22.5 t -118.78 155.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 71.14 111.097 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -114.08 162.5 12.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 31.33 112.456 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 42.39 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 74.45 110.94 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -92.55 154.77 42.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 55.1 110.908 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' O ' HG22 ' A' ' 47' ' ' THR . 53.9 Cg_endo -69.75 -48.49 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.722 2.281 . . . . 72.2 112.384 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HB1' ' CE2' ' A' ' 95' ' ' PHE . . . -57.67 -24.49 56.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 62.22 111.064 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.87 -48.5 6.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 74.54 111.105 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.48 62.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 61.21 111.11 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 43' ' ' PRO . 3.0 t -58.27 -21.79 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.22 111.107 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.88 21.25 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 65.52 110.823 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 66.24 -77.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 53.24 110.915 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -159.56 22.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 73.45 110.913 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -73.52 -51.05 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 72.34 111.1 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -58.38 -27.41 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 53.55 111.109 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.21 -20.75 78.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 74.33 112.475 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -70.27 -54.92 10.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.852 0.358 . . . . 73.32 110.874 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.5 HG22 HD21 ' A' ' 59' ' ' LEU . 5.6 mt -67.32 -31.31 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 75.12 111.222 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.61 -50.52 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.53 111.118 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.795 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -50.44 -53.35 30.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.091 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -51.94 -32.37 32.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 75.4 111.156 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.5 HD21 HG22 ' A' ' 55' ' ' ILE . 6.2 mt -66.29 -67.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.933 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.431 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 32.6 m-85 -58.33 -26.23 62.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 73.15 110.973 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . . . -66.6 -38.47 87.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 61.22 111.085 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 58' ' ' ALA . 96.6 t -76.28 -36.77 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 45.11 111.162 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -60.24 -45.37 93.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.905 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.753 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.1 tptt -75.94 -30.24 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 72.31 110.962 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.07 -36.82 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 75.43 111.126 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.416 ' HB2' HD12 ' A' ' 109' ' ' ILE . 7.2 t -71.15 -28.79 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.816 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -73.14 -47.69 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.51 110.946 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 64' ' ' LYS . 2.2 mp -73.78 -7.73 53.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.924 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.93 25.53 72.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 72.4 112.449 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 m -110.24 -171.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 74.13 111.187 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -133.27 -179.55 5.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.879 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.5 pt -142.13 -179.38 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 72.33 111.119 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 143.03 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.883 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.653 HG22 ' H ' ' A' ' 111' ' ' SER . 10.1 pt -133.63 -39.92 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 65.42 111.153 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -47.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 73.32 110.914 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -73.47 76.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.14 110.882 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -175.68 117.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 62.22 110.812 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.74 27.52 3.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 71.32 110.938 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.28 -179.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 74.43 111.08 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.74 -11.0 72.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.757 . . . . 73.24 112.485 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.651 HG21 ' CD2' ' A' ' 112' ' ' PHE . 1.8 mp -61.42 -46.44 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.359 . . . . 72.15 111.126 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.28 -5.77 55.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 63.11 111.143 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -85.56 -55.24 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 72.04 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -21.67 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 74.35 110.905 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -48.29 -31.66 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 44.14 111.087 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.4 p -67.15 -41.88 85.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 62.13 111.137 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.16 105.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 71.14 112.502 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -100.16 -62.82 1.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 72.42 110.863 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.55 159.13 16.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.155 -0.475 . . . . 61.34 110.91 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -67.2 86.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.925 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.526 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . . . -80.51 1.01 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 71.55 111.105 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -47.1 -27.8 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 61.14 110.818 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -102.73 68.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.895 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -153.01 -84.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 72.02 110.857 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER 172.74 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 64.22 110.892 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -26.49 9.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 62.02 111.076 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -45.37 46.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 74.13 110.929 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.7 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 71.42 111.087 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.513 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 21.1 m-30 -53.94 -38.09 64.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.965 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.4 67.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 61.13 111.075 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -74.18 -45.47 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.44 110.907 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 59' ' ' LEU . 8.4 mt -52.0 -23.38 5.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 63.13 110.901 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.1 ttp -51.97 -66.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 63.22 110.847 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -54.87 -31.36 59.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 64.34 110.875 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -40.9 41.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.961 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -134.15 32.55 3.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.881 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 127.41 32.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.873 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.21 -22.19 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 65.31 112.457 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -104.0 -31.67 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 51.21 111.103 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -120.67 177.64 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.955 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.653 ' H ' HG22 ' A' ' 74' ' ' ILE . 1.3 m -154.15 161.13 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.848 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.651 ' CD2' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -176.48 171.21 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 75.5 110.844 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 163.87 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 54.21 110.913 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.582 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -50.75 132.04 26.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.894 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.63 123.9 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.118 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 11.1 mttt -107.75 -78.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 70.01 110.932 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.526 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . . . 177.96 153.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 75.55 111.093 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.82 -168.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.783 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 m -92.53 -169.06 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 24.11 110.846 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.23 -170.59 46.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 50.11 112.509 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.89 -177.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 71.03 110.924 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -98.71 -7.48 27.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.941 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -54.13 -29.55 45.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 74.01 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.74 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.7 p30 -71.56 -36.3 70.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 64.44 110.844 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.51 -25.0 50.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 71.51 110.804 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.8 -35.77 57.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 65.43 110.936 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 124' ' ' ASN . 21.8 m -56.09 -21.12 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 72.34 111.105 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -60.6 -49.79 76.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 75.33 110.868 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttm -72.64 -40.66 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 74.2 110.867 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -54.52 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 71.01 110.951 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -53.74 -34.93 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 53.13 111.122 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -52.29 -35.28 49.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 65.5 110.88 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 62.9 m -72.2 -32.25 66.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 60.21 110.869 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . -64.14 -42.8 96.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 74.21 111.069 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER -71.3 -50.38 33.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.924 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.611 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 125.53 85.53 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 74.52 112.47 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.493 HD11 HD22 ' A' ' 135' ' ' LEU . 30.0 mm -121.61 147.06 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.35 . . . . 75.32 111.173 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -59.59 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 65.25 110.852 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -179.23 170.47 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.89 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.41 85.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 60.03 110.848 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -52.09 159.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.76 -44.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.932 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.52 -179.47 7.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.883 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -172.48 -177.76 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 64.33 110.815 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.73 -173.82 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 71.01 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -152.54 26.21 0.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.832 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 61.12 110.854 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.768 0.318 . . . . 71.54 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.98 154.71 40.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 71.04 110.867 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -135.2 -168.57 2.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 73.2 110.877 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -159.52 26.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.861 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -59.07 150.42 24.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 73.34 111.126 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 1.6 mm-40 -51.34 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.473 . . . . 72.11 110.939 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -179.15 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.938 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 1.1 t0 -63.41 134.2 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 71.03 110.866 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 11' ' ' THR . 55.4 t -91.47 141.35 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 71.13 111.081 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -68.69 85.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 73.14 110.936 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.586 ' O ' HG21 ' A' ' 127' ' ' VAL . 8.8 p -128.24 178.4 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 74.14 111.198 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER 52.37 88.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 61.52 110.855 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.34 86.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.757 . . . . 72.3 112.446 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.33 126.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.996 0.427 . . . . 52.32 110.8 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -179.23 156.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.954 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.7 p -137.67 116.05 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 73.14 111.143 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 70.53 -70.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 65.44 110.829 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.02 20.69 0.36 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.695 -0.764 . . . . 64.13 112.447 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.53 -179.17 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 64.13 110.959 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -136.81 134.78 37.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 64.05 110.937 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.731 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -136.75 158.86 43.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.34 111.153 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -124.92 130.11 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 74.3 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.1 136.8 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 55.33 111.096 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.7 p90 -128.25 178.51 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 62.35 110.909 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' H ' HG13 ' A' ' 9' ' ' VAL . . . -105.74 146.29 30.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 61.22 111.135 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.41 140.76 35.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 72.12 110.895 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 31' ' ' LYS . 12.8 t -150.23 135.06 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 55.31 111.156 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -128.15 133.88 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 71.15 110.855 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t0 69.04 10.48 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.852 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.42 20.75 34.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 55.13 112.522 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.6 ptpt -149.61 155.08 39.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 51.4 110.869 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.06 108.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 71.32 111.125 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -68.9 -59.4 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 62.21 110.85 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -142.21 175.18 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.886 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.61 118.88 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 74.01 110.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.74 142.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.833 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.94 -168.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 72.32 111.109 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -156.63 153.95 29.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.877 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.731 HG13 ' HB2' ' A' ' 21' ' ' ALA . 21.5 t -125.07 155.42 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.14 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -126.71 157.79 20.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 52.43 112.45 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.14 31.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.756 0.312 . . . . 61.42 110.857 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -77.8 154.64 80.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.556 0.693 . . . . 73.23 110.866 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' O ' HG22 ' A' ' 47' ' ' THR . 53.6 Cg_endo -69.83 -47.93 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.685 2.256 . . . . 62.53 112.371 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.65 -27.09 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 61.15 111.052 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.34 -45.29 8.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 70.41 111.182 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.97 -36.98 65.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 72.42 111.166 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 43' ' ' PRO . 4.2 t -63.62 -16.46 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.13 111.146 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.52 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.1 mtm -107.7 18.92 20.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 52.3 110.857 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 63.99 -83.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 64.12 110.829 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -148.45 15.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 73.53 110.913 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 48' ' ' MET . 21.4 t -73.19 -30.83 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.225 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB2' ' HE2' ' A' ' 48' ' ' MET . . . -75.87 -52.08 11.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 60.43 111.095 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.32 -20.74 37.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 63.42 112.55 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 12' ' ' ASP . 33.8 mt-10 -72.44 -54.96 7.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.778 0.323 . . . . 65.22 110.847 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mt -74.14 -32.32 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.01 111.095 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HA ' ' HG ' ' A' ' 59' ' ' LEU . . . -51.31 -33.54 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.095 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.63 83.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 72.3 111.061 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -51.64 -31.92 27.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.14 111.155 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.639 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.7 mt -65.24 -60.56 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 64.02 110.969 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -61.49 -34.34 75.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 71.3 110.924 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -62.42 -38.77 90.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.0 111.055 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 58' ' ' ALA . 54.0 t -76.25 -45.71 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 64.02 111.158 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -53.17 -46.86 69.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.924 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.773 ' O ' HD12 ' A' ' 68' ' ' LEU . 8.7 mmtt -77.26 -32.37 55.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.903 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -50.83 -37.61 44.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.123 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB2' HD12 ' A' ' 109' ' ' ILE . 11.1 t -70.78 -28.78 64.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.843 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -74.87 -45.63 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.773 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.6 mp -76.58 -4.72 44.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.965 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.9 19.27 73.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.69 -0.766 . . . . 75.45 112.567 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 m -110.27 157.87 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 71.4 111.133 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.92 -169.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.852 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 74' ' ' ILE . 7.9 pt -145.07 -179.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.2 111.145 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.87 126.33 21.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.872 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.469 HG23 ' O ' ' A' ' 72' ' ' ILE . 39.9 pt -121.59 -175.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 61.42 111.185 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 tp 50.85 -167.15 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.832 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -50.31 103.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 75.45 110.907 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 53.8 t0 -95.74 126.61 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 72.43 110.878 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.19 -11.12 60.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 64.34 110.982 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . . . -56.5 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 62.33 111.074 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.94 -20.76 72.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 30.13 112.517 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 mm -58.71 -20.44 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 72.43 111.177 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 86' ' ' THR . . . -70.5 -36.14 73.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.11 111.165 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -71.92 -39.44 69.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.04 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.513 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 2.4 t90 -78.15 -39.11 42.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.889 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.39 -29.66 16.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 70.32 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 82' ' ' ALA . 19.8 p -68.81 -42.49 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.13 111.086 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.42 86.76 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.741 -0.742 . . . . 75.24 112.442 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.19 -62.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 72.33 110.904 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -95.14 159.3 15.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 64.12 110.928 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -66.59 86.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 73.53 110.942 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.649 ' HB1' ' HB2' ' A' ' 118' ' ' HIS . . . -80.69 0.57 33.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 75.12 111.08 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -48.3 -27.32 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 53.34 110.848 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -50.62 -29.47 11.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.87 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -83.27 -169.82 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.865 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -99.51 -10.73 21.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 64.25 110.918 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -53.2 -26.91 19.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 65.51 111.095 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -52.46 30.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 74.51 110.873 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.4 -42.56 64.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 73.4 111.101 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -52.74 -36.18 57.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.25 110.96 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.602 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -72.05 -28.36 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 75.34 111.117 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -74.89 -42.33 58.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 71.1 110.858 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.639 ' CD1' HD13 ' A' ' 59' ' ' LEU . 56.6 mt -54.71 -22.24 13.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 62.54 110.896 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 ttp -51.31 -66.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 52.33 110.903 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -56.94 -29.52 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 70.05 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -48.19 62.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 74.52 110.934 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.423 ' OH ' HD22 ' A' ' 59' ' ' LEU . 1.6 p90 -127.07 36.31 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.926 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.09 163.57 27.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 71.44 110.904 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.47 -55.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.814 -0.708 . . . . 62.41 112.418 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.417 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -69.28 -31.31 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 72.44 111.122 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 62' ' ' VAL . 9.9 p90 -126.33 177.94 6.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.458 . . . . 71.24 110.946 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.451 ' H ' HG22 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -150.8 148.62 28.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 72.23 110.899 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -159.12 164.53 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 44.22 110.88 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.7 -176.16 6.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 62.5 110.95 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -50.67 161.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 51.11 110.928 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.602 HG23 ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -151.7 126.18 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 72.12 111.171 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.7 OUTLIER -102.88 -78.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 70.35 110.982 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.633 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . . . 175.82 165.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 52.03 111.093 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.649 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 1.1 t-160 54.23 -166.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.873 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m 67.72 128.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.811 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.07 99.58 0.82 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.767 -0.73 . . . . 61.51 112.56 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.72 -68.35 0.61 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.74 0.305 . . . . 74.31 110.917 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -102.02 -33.91 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.935 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -51.26 -31.3 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 72.32 110.86 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.826 ' O ' HG22 ' A' ' 127' ' ' VAL . 0.6 OUTLIER -76.57 -42.49 42.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.888 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -24.31 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 55.35 110.854 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -51.66 -30.82 23.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.834 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 124' ' ' ASN . 18.0 m -56.0 -24.2 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 43.34 111.126 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -60.68 -49.6 76.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 72.31 110.82 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -44.82 62.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 74.01 110.86 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.51 80.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.819 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.74 -34.22 64.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 65.04 111.109 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -52.38 -40.0 61.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 70.32 110.999 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.3 m -57.57 -32.31 67.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 63.21 110.841 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . -53.28 -42.08 66.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.15 111.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.95 -60.87 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 72.12 110.952 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 142.39 39.16 0.07 OUTLIER Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.683 -0.77 . . . . 54.34 112.396 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.5 mm -71.35 151.32 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 71.24 111.124 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -169.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 70.2 110.911 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.26 -169.74 0.15 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 75.23 110.88 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tt 63.33 104.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 45.42 110.961 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -167.69 -170.14 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 72.32 110.826 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.58 165.9 22.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 75.45 110.896 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -161.41 179.33 8.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.13 110.789 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -175.35 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.891 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -127.62 -74.64 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 63.31 110.883 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -168.5 -178.82 3.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.921 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.769 0.319 . . . . 62.45 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.5 -174.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 74.54 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -135.33 -169.09 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.856 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -159.28 29.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.937 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 p -53.74 156.1 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 72.43 111.163 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -53.23 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 64.4 110.857 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -155.27 -76.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.904 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -85.78 155.6 20.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 60.32 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.11 143.14 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.53 111.104 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -69.77 80.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.906 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.605 ' O ' HG21 ' A' ' 127' ' ' VAL . 16.2 p -113.84 179.11 4.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 74.31 111.173 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.19 -169.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 70.4 110.849 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.3 68.67 1.46 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.749 -0.739 . . . . 54.32 112.499 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.403 ' C ' ' HB3' ' A' ' 21' ' ' ALA . 3.3 m -160.94 137.93 8.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.903 0.382 . . . . 74.51 110.875 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -179.23 165.55 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 71.03 110.857 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.5 p -136.16 115.41 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 72.44 111.118 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 70.38 -70.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 61.24 110.934 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.12 23.01 0.21 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.712 -0.756 . . . . 74.21 112.446 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -175.76 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 65.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -110.3 134.65 52.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 65.33 110.907 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.932 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -129.45 173.04 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 75.51 111.028 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -148.8 130.73 15.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.853 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' HB1' ' A' ' 57' ' ' ALA . . . -133.79 169.48 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 64.11 111.113 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.84 168.0 26.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.965 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.3 123.41 50.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 70.14 111.13 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.7 m-85 -109.39 136.81 48.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.9 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.8 t -143.86 129.33 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 53.41 111.135 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -124.6 136.02 53.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 73.42 110.952 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 66.88 12.84 9.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 52.12 110.865 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.89 23.98 33.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 42.1 112.425 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -149.44 159.33 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 63.23 110.916 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.32 122.37 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 21.13 111.129 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -107.64 -47.34 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.836 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -130.24 175.12 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.897 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -175.85 104.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 75.44 110.878 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.88 162.46 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 74.51 110.824 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.59 170.34 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 72.02 111.059 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.43 158.86 44.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 62.13 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.932 HG12 ' HB2' ' A' ' 21' ' ' ALA . 26.9 m -116.89 168.38 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.02 111.139 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.66 -156.22 16.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 64.11 112.425 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.78 33.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 74.21 110.881 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -94.61 154.32 40.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.586 0.708 . . . . 75.03 110.841 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -48.63 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.635 2.223 . . . . 72.1 112.326 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.92 -15.96 63.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 70.22 111.075 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.54 -23.06 15.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 70.41 111.185 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.54 -31.63 22.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.13 111.087 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.8 t -71.8 -18.19 62.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 63.32 111.143 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.624 ' O ' HG23 ' A' ' 51' ' ' VAL . 16.2 mmt -89.35 9.74 25.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.899 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.0 mtm-85 70.01 -72.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.918 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -161.33 21.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 62.3 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.733 ' O ' HD12 ' A' ' 55' ' ' ILE . 33.1 t -74.51 -42.87 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 72.01 111.152 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.65 -26.87 58.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 74.54 111.142 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -70.98 -51.74 17.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 54.44 112.483 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -53.16 -48.01 68.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 74.11 110.878 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 51' ' ' VAL . 5.5 mt -70.41 -31.19 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 65.32 111.162 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 53' ' ' GLY . . . -47.06 -44.73 21.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 51.22 111.079 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 23' ' ' ALA . . . -54.1 -51.2 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 74.41 111.125 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.3 -29.24 22.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 71.04 111.13 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.715 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.8 mt -70.4 -67.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 73.04 110.961 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -59.29 -22.22 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.858 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -67.43 -41.42 84.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.25 111.091 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 58' ' ' ALA . 96.5 t -76.05 -43.28 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.125 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -51.64 -49.69 61.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 74.02 110.85 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.746 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.7 mttt -76.9 -31.13 56.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.856 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.29 -33.38 41.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 53.2 111.142 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.3 t -75.57 -28.59 59.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.887 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -71.25 -41.87 69.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.7 mp -78.46 -2.27 37.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.33 110.927 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.94 59.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 61.24 112.497 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 m -100.78 174.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 72.31 111.151 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 149.29 45.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 64.23 110.974 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 pt -100.06 131.52 47.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 43.34 111.071 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.37 156.12 20.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 74.2 110.863 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 75' ' ' LEU . 6.6 tt -142.07 -47.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 64.32 111.112 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.425 ' N ' HG23 ' A' ' 74' ' ' ILE . 17.5 mt 51.1 -92.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.943 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -102.67 -63.36 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 73.1 110.865 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t0 57.87 172.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.821 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.83 17.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 61.2 110.899 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.9 164.39 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 64.44 111.088 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.8 -19.16 35.09 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.856 -0.688 . . . . 74.31 112.457 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 4.6 mp -68.89 -46.19 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 74.25 111.097 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.11 -5.97 42.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.12 111.15 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -81.57 -59.27 2.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.833 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.469 ' CZ3' ' HA ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -84.97 -10.81 56.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.9 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . -48.58 -29.19 4.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 71.45 111.091 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.7 p -64.56 -41.29 96.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 52.01 111.124 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.69 62.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 42.43 112.539 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -51.42 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 75.34 110.913 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -79.9 158.72 26.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 72.51 110.933 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -50.5 123.96 9.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.929 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.852 ' HA ' ' HB3' ' A' ' 117' ' ' ALA . . . -77.4 -3.69 41.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 45.11 111.108 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -91.12 1.88 56.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.822 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -98.34 143.5 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 73.41 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' HA ' ' HE1' ' A' ' 48' ' ' MET . 44.9 mt-10 61.63 166.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 64.11 110.919 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -90.22 11.56 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 71.25 110.925 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -27.04 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 54.24 111.17 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.84 -41.63 45.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.06 -35.19 15.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 65.12 111.02 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -53.86 -51.35 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 72.23 110.926 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -59.64 -30.89 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.12 111.147 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -74.54 -53.01 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 43.22 110.893 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.715 ' CD1' HD13 ' A' ' 59' ' ' LEU . 13.4 mt -58.94 -27.41 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.7 ttp -51.95 -67.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.34 110.798 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -55.85 -30.03 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.903 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -46.33 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.839 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -130.92 35.74 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.945 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -83.35 128.41 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 74.11 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.76 -21.02 0.38 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 72.32 112.455 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -33.23 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 60.41 111.189 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.54 177.2 4.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.93 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.76 147.95 52.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 71.12 110.881 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.74 140.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 71.13 110.874 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -75.21 169.16 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.85 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.426 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 1.9 tttp -51.53 165.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.876 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.467 HG23 ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -153.13 129.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.139 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 6.7 mttm -90.65 -81.56 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.501 . . . . 74.03 110.962 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.852 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . . . 172.43 176.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.53 111.122 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 64.36 -169.98 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 84' ' ' TRP . 0.7 OUTLIER 68.22 -174.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 71.13 110.892 -179.761 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.19 118.24 2.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 42.54 112.431 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -138.29 -158.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 54.42 110.908 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.14 -1.31 11.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.923 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' A' ' 126' ' ' TYR . 0.6 OUTLIER -50.07 -30.17 10.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 54.32 110.914 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.761 ' O ' HG22 ' A' ' 127' ' ' VAL . 12.8 p30 -66.91 -39.08 87.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 72.45 110.828 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -24.28 14.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 55.35 110.893 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.45 ' HB3' ' O ' ' A' ' 123' ' ' PHE . 4.0 t80 -51.59 -39.07 57.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.943 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 124' ' ' ASN . 28.8 m -55.38 -24.73 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 75.44 111.187 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.18 -52.8 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 55.51 110.88 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 9.4 ttp -72.19 -40.12 68.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.892 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -38.75 87.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 52.25 110.915 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.17 65.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 61.32 111.031 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -52.37 -40.48 62.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 73.24 110.886 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -32.45 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 64.3 110.833 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.49 -27.82 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.087 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.01 -38.31 11.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.933 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 115.28 36.6 1.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 71.45 112.46 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.5 mm -68.01 130.85 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 72.33 111.123 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -175.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 75.14 110.938 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.494 ' C ' HD23 ' A' ' 140' ' ' LEU . 1.0 OUTLIER 63.81 158.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.867 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.494 HD23 ' C ' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -148.17 152.56 37.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 72.14 110.911 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -133.11 171.8 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 72.45 110.867 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -168.63 137.68 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 72.12 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -132.57 163.14 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.867 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -167.14 158.96 12.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.778 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.97 140.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.873 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 161.96 37.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.863 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 71.23 110.811 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 mtp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.779 0.323 . . . . 63.52 110.832 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -178.59 177.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 65.14 110.857 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -148.98 160.53 43.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 73.01 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -100.72 82.59 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 63.2 110.847 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -128.12 137.47 52.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 65.43 111.089 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -68.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 55.25 110.862 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -162.7 -79.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.876 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.79 158.12 36.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 65.21 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 11' ' ' THR . 78.5 t -105.35 146.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.142 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -69.0 79.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.942 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.767 ' O ' HG21 ' A' ' 127' ' ' VAL . 82.2 p -135.69 157.58 46.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 74.12 111.133 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.15 88.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.93 79.85 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.733 . . . . 74.14 112.529 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.04 135.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 64.5 110.878 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -170.63 154.85 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 74.0 110.955 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.69 122.5 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 74.12 111.138 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t30 62.61 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 71.24 110.883 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.59 19.66 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 50.54 112.469 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -175.83 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 73.03 110.944 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -136.77 134.88 37.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 51.24 110.897 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.652 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -143.27 161.32 38.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 64.33 111.105 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -134.12 130.8 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 72.11 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.89 160.62 36.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 70.4 111.084 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.4 ' HB3' HG22 ' A' ' 11' ' ' THR . 1.0 OUTLIER -161.32 150.72 16.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 73.21 110.971 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.54 122.0 33.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 65.23 111.095 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 68' ' ' LEU . 2.6 m-30 -109.87 113.65 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 63.25 110.928 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.7 t -126.89 133.02 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 52.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -132.18 138.69 48.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.1 110.959 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 67.03 12.57 9.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 64.52 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.14 22.59 37.64 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.728 -0.749 . . . . 74.12 112.524 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -149.56 157.64 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 73.23 110.885 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.13 116.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.176 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -93.79 -42.2 9.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 70.12 110.828 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -131.52 168.83 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 63.52 110.943 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.64 90.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 74.21 110.833 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.18 108.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.03 -178.43 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.05 111.056 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -154.47 130.84 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.5 110.831 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 21' ' ' ALA . 19.5 t -102.08 155.25 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 64.23 111.134 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -118.02 170.33 13.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 70.42 112.438 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.98 28.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 72.53 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -74.41 156.0 87.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 65.41 110.864 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.65 -48.58 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 71.23 112.428 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' C ' HG22 ' A' ' 47' ' ' THR . . . -62.07 -23.56 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 70.24 111.092 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.22 -59.33 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.03 -34.05 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.147 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.425 HG23 ' HG2' ' A' ' 48' ' ' MET . 14.7 t -62.63 -32.23 73.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.22 111.125 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.425 ' HG2' HG23 ' A' ' 47' ' ' THR . 78.9 mmm -95.15 19.57 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.897 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 63.1 -167.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 63.51 110.938 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -70.46 -8.78 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.85 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.748 ' O ' HD12 ' A' ' 55' ' ' ILE . 84.2 t -51.91 -42.38 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 65.13 111.116 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.69 -21.31 57.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 40.22 111.14 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.507 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -75.4 -51.61 7.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 44.34 112.45 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.4 -49.98 63.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 64.42 110.973 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.748 HD12 ' O ' ' A' ' 51' ' ' VAL . 3.5 mt -65.23 -31.08 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 73.14 111.18 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.633 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -47.56 -46.26 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 70.2 111.148 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.57 -53.11 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 72.32 111.128 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.44 -29.36 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 64.22 111.066 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.3 mt -71.42 -67.57 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 52.42 110.983 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.633 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 32.9 m-85 -58.23 -23.33 55.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 64.25 110.886 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -63.89 -40.74 97.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 71.41 111.05 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 58' ' ' ALA . 58.5 t -76.35 -43.42 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 72.42 111.14 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -51.68 -50.04 61.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.905 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.759 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.48 -32.57 58.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.949 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -50.9 -41.83 58.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 61.14 111.062 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.8 t -65.37 -28.5 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 50.22 110.858 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -75.88 -44.89 38.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 62.01 110.967 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.4 mp -78.43 -6.64 55.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 65.11 110.935 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.56 33.06 40.19 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.78 -0.724 . . . . 64.44 112.436 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 68' ' ' LEU . 16.2 m -107.62 -32.61 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 74.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.52 -175.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.888 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.634 HG22 HG21 ' A' ' 9' ' ' VAL . 4.3 pt -133.27 134.23 57.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 61.3 111.195 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.12 100.61 5.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 54.42 110.884 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.685 HG21 ' CZ ' ' A' ' 112' ' ' PHE . 8.6 mt -144.25 34.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 54.31 111.12 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.82 -58.86 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 60.42 110.909 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 16.93 10.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 64.55 110.849 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' A' ' 74' ' ' ILE . 0.6 OUTLIER -64.04 125.27 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.02 110.918 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -92.87 39.94 1.05 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 71.04 110.95 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.6 -173.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 63.33 111.181 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.99 -46.79 68.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 74.13 112.475 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.39 -41.2 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 61.21 111.123 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.27 -5.95 47.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 52.54 111.133 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -57.12 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.466 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.55 -17.21 45.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 71.45 110.948 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.31 -23.1 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 72.22 111.143 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.7 p -63.76 -15.79 59.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 64.31 111.103 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.36 75.15 1.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 51.22 112.488 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.26 -42.33 6.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 64.31 110.853 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.57 158.55 24.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.44 . . . . 74.52 110.895 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -57.11 154.49 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 64.31 110.894 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.601 ' HA ' ' HB3' ' A' ' 117' ' ' ALA . . . -61.3 -19.54 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.12 111.049 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -7.36 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 61.45 110.93 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.591 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 3.1 t-20 -67.48 111.69 4.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 63.04 110.873 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.47 -173.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 75.23 110.87 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -91.03 11.07 24.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 70.14 110.888 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -27.64 26.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.128 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -47.28 48.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 64.51 110.879 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.74 -36.28 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 72.13 111.12 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' HD1' HD21 ' A' ' 59' ' ' LEU . 91.8 t80 -53.76 -54.37 39.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.916 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -55.93 -30.88 62.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 72.52 111.137 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -75.53 -51.31 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 70.1 110.944 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 59' ' ' LEU . 12.3 mt -62.31 -17.68 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 65.2 110.903 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -66.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.899 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -54.49 -29.22 49.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 62.24 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -49.03 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.93 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -128.46 35.7 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.901 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -84.3 128.69 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.831 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.35 -20.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 63.13 112.534 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -33.62 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 55.04 111.167 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.406 ' CE1' HG11 ' A' ' 62' ' ' VAL . 26.0 p90 -109.68 177.37 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.953 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.61 150.67 51.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 73.44 110.864 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.685 ' CZ ' HG21 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -175.87 147.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 63.13 110.806 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.6 -170.58 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.883 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -71.83 130.76 41.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.92 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -124.72 126.38 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 71.15 111.147 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -100.31 -82.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.601 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . . . -179.97 115.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 63.23 111.1 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -179.36 142.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 62.54 110.88 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.62 -168.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 54.25 110.912 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -161.24 -144.22 3.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 74.5 112.525 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.8 -76.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 73.44 110.951 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.09 11.19 25.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.93 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -48.85 -45.55 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 72.02 110.826 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.77 ' O ' HG22 ' A' ' 127' ' ' VAL . 5.3 p30 -76.86 -23.85 52.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.843 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -71.67 -22.38 61.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 54.21 110.867 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.15 -45.22 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.945 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 124' ' ' ASN . 29.3 m -56.03 -23.13 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 72.24 111.166 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.45 -47.12 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.41 110.84 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 20.2 ttp -72.85 -37.01 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.895 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -56.1 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.873 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.39 -33.49 53.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.24 111.125 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -51.62 -32.95 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 55.13 110.883 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.1 m -67.26 -37.09 82.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.815 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -53.18 -41.27 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 62.05 111.107 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.73 -44.4 42.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.904 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.82 42.1 1.48 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.721 . . . . 73.43 112.535 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.1 mm -67.83 151.27 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 62.14 111.122 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -174.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.909 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.35 156.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 71.02 110.897 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.9 83.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.887 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.07 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.5 110.861 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.34 105.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 62.15 110.84 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -175.57 149.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.4 110.871 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -176.71 145.95 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 71.21 110.841 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -175.33 167.88 3.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.858 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -174.16 108.35 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 73.02 110.872 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.88 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.821 0.343 . . . . 74.14 110.841 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.06 175.5 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 71.23 110.865 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.493 ' OD1' HG12 ' A' ' 70' ' ' VAL . 3.8 m-20 -137.95 -175.02 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.802 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -81.83 111.01 17.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.092 -0.503 . . . . 75.02 110.825 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.422 HG22 ' OH ' ' A' ' 7' ' ' TYR . 23.2 p -152.57 -83.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.22 111.175 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.27 63.36 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 73.22 110.92 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.422 ' OH ' HG22 ' A' ' 5' ' ' THR . 4.5 p90 -178.7 152.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 73.21 110.938 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.51 154.22 21.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 64.44 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.692 HG12 HG23 ' A' ' 11' ' ' THR . 81.8 t -90.05 145.32 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 45.1 111.103 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.32 78.84 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 74.2 110.937 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.692 HG23 HG12 ' A' ' 9' ' ' VAL . 80.5 p -138.23 172.95 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 63.5 111.148 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.81 100.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 74.04 110.822 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.68 91.0 0.47 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 64.22 112.437 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.27 133.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 75.2 110.875 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -179.19 142.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.964 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.67 122.92 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 52.14 111.181 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t30 62.56 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.6 18.17 1.0 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 50.31 112.515 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.55 175.23 5.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.84 0.352 . . . . 63.14 110.865 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -134.81 134.62 41.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.12 110.847 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.46 165.66 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 65.31 111.067 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.0 p90 -144.43 130.7 19.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.913 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 11' ' ' THR . . . -127.8 169.21 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.2 111.145 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.81 158.15 25.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 61.41 110.879 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.56 127.99 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 41.32 111.093 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.4 m-85 -109.11 139.9 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 64.45 110.868 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 t -142.27 132.26 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 72.04 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -128.94 133.58 47.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.53 110.939 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.32 12.52 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 54.45 110.805 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.81 26.33 24.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.701 -0.761 . . . . 45.44 112.442 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -149.75 164.82 34.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 63.12 110.891 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.16 122.54 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 65.14 111.151 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -107.55 -45.96 3.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.869 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -130.24 179.74 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.01 110.945 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -179.3 100.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 55.34 110.879 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.69 177.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 62.52 110.826 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -148.81 -170.19 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 65.44 111.043 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -155.1 140.73 17.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.807 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.1 t -102.2 155.48 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 51.43 111.137 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -119.58 -170.09 14.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 72.31 112.5 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.86 31.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 74.42 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.31 155.52 66.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.633 0.73 . . . . 74.41 110.897 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.652 2.234 . . . . 63.15 112.371 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.59 -24.9 65.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.24 111.11 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.98 -34.59 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 64.21 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.6 -25.69 57.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.086 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -74.17 -7.49 52.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.113 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.87 22.55 13.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 74.44 110.92 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 64.16 -81.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.834 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -154.49 20.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.13 110.84 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.752 ' O ' HD12 ' A' ' 55' ' ' ILE . 59.6 t -73.01 -38.94 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 61.43 111.116 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -76.16 -27.25 56.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 62.41 111.092 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.94 -49.73 15.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 72.31 112.484 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.28 -48.62 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 72.43 110.904 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 51' ' ' VAL . 3.5 mt -74.55 -31.34 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.5 111.075 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 52' ' ' ALA . . . -48.6 -31.87 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 63.41 111.132 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' A' ' 11' ' ' THR . . . -56.69 -53.37 58.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 53.44 111.108 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -39.67 61.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.149 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 102' ' ' LEU . 10.5 mt -52.31 -66.99 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.916 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -66.07 -23.33 66.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.465 . . . . 63.34 110.94 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.45 89.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 64.12 111.128 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 110' ' ' TYR . 96.9 t -76.27 -45.49 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 72.24 111.094 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -51.67 -48.07 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 63.24 110.891 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.623 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -73.28 -30.28 63.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 74.41 110.899 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.58 -34.02 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 43.23 111.114 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.418 ' HB2' HD12 ' A' ' 109' ' ' ILE . 3.7 t -73.14 -30.16 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 45.32 110.806 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.29 -37.9 78.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.888 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -91.98 -10.84 37.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 70.54 110.933 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 55.28 32.63 57.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 63.24 112.463 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.493 HG12 ' OD1' ' A' ' 3' ' ' ASP . 16.9 m -105.84 -29.93 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.942 0.401 . . . . 63.41 111.178 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.6 -169.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 63.41 110.859 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 74' ' ' ILE . 5.5 pt -139.69 173.11 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.25 111.147 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -55.53 136.78 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.31 110.914 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -141.34 178.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 64.14 111.162 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 68.76 -75.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.87 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.85 23.46 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.821 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -97.23 47.45 1.03 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.305 -0.407 . . . . 73.45 110.912 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -50.73 -56.99 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 65.53 110.991 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 51.93 -168.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 52.33 111.094 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.32 -25.61 73.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.805 -0.712 . . . . 53.54 112.506 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.96 -46.12 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 72.51 111.178 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.29 -8.75 52.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 61.35 111.113 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.31 -57.1 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.872 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -16.57 47.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.43 110.956 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -61.45 -16.39 46.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.04 111.063 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.8 p -63.9 -15.59 59.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.52 111.079 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.37 86.76 1.2 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.786 -0.721 . . . . 53.34 112.482 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -100.0 -62.66 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 64.35 110.842 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -175.18 122.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 75.35 110.973 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 88.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 61.04 110.869 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.61 -49.12 15.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.42 111.104 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -34.2 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 65.41 110.919 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 41.86 39.19 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 52.33 110.882 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -161.75 -74.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 71.13 110.831 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -51.64 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 61.24 110.865 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -42.21 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.12 111.168 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -47.32 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 43.23 110.931 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.27 -33.51 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 73.55 111.047 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.517 ' CD2' HG21 ' A' ' 115' ' ' VAL . 28.4 t80 -53.43 -54.62 34.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 72.22 110.972 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.651 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -55.18 -33.05 62.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 75.01 111.113 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -74.55 -47.01 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.861 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 59' ' ' LEU . 5.7 mt -61.62 -16.89 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 63.22 110.909 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.0 ttp -57.36 -66.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.05 110.862 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -52.09 -31.83 32.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 54.15 110.816 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -48.82 67.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.963 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -116.79 28.89 8.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 62.01 110.913 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -83.19 125.22 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.864 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.45 -20.98 0.4 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.74 . . . . 75.34 112.524 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -108.21 -34.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 62.43 111.076 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.455 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.7 p90 -122.21 178.31 4.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.931 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.53 148.27 32.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 51.53 110.843 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.3 171.92 19.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.958 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.73 -170.0 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.866 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.606 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 5.4 tttp -94.49 117.08 29.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 74.24 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.651 HG23 ' HB2' ' A' ' 100' ' ' ALA . 2.1 m -104.32 139.76 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 71.11 111.126 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -105.5 -78.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 62.44 110.891 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 176.97 101.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 73.34 111.056 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -176.66 170.67 2.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.899 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 -169.41 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 65.24 110.817 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.04 -143.95 3.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 73.01 112.49 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -77.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 74.34 110.881 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -110.39 11.73 23.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.928 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -48.16 -44.89 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.873 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.739 ' O ' HG22 ' A' ' 127' ' ' VAL . 4.8 p-10 -74.63 -40.16 61.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 74.55 110.893 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.41 -24.77 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.899 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.7 -38.07 60.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 64.33 110.886 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 124' ' ' ASN . 20.9 m -56.04 -21.56 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 60.14 111.053 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.83 -48.99 74.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 55.02 110.919 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 6.7 ttp -68.87 -44.81 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 55.12 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -53.29 57.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 65.35 110.904 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.34 -33.63 54.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 33.14 111.071 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -52.26 -32.15 35.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.446 . . . . 63.32 110.845 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.7 p -75.6 -31.49 59.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 51.24 110.864 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.405 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . . . -55.09 -42.87 73.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 61.13 111.064 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.6 OUTLIER -68.87 -48.97 62.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 74.35 110.895 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.61 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 124.06 30.14 1.05 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.768 -0.73 . . . . 43.45 112.48 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.459 ' CD1' HD22 ' A' ' 135' ' ' LEU . 27.8 mm -52.36 143.39 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 54.12 111.184 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 157.94 17.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 71.13 110.952 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.17 -169.85 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 74.11 110.858 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.79 87.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.52 110.925 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.1 -179.35 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.82 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -163.5 174.04 12.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 63.53 110.872 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -163.57 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.01 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 62.82 165.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 61.14 110.843 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.91 -170.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 71.2 110.841 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -138.52 -73.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.905 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 62.12 110.811 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ttt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.758 0.314 . . . . 73.01 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -75.77 -178.32 4.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 72.15 110.865 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -136.81 -169.35 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.842 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -157.53 23.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 75.51 110.911 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -88.59 148.36 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 52.21 111.125 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -145.11 21.89 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 62.14 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.787 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 30.7 m-85 -121.47 157.11 31.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.35 110.905 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.734 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 10.7 t70 -50.63 151.05 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 70.05 110.863 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.729 HG12 HG23 ' A' ' 11' ' ' THR . 57.5 t -91.23 142.49 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 72.1 111.116 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -69.71 80.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.974 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.767 ' O ' HG21 ' A' ' 127' ' ' VAL . 41.2 p -131.46 177.79 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.132 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.54 106.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 65.34 110.847 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.87 -150.6 19.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 72.23 112.495 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p 64.36 156.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 72.14 110.868 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -176.69 166.27 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.945 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -141.87 113.46 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 42.23 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 69.55 -72.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 71.5 110.886 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.44 25.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.728 . . . . 64.04 112.484 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.67 -175.79 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 70.23 110.908 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.485 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 7.8 p90 -105.37 135.72 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 65.21 110.911 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 1.012 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -137.53 164.17 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 61.22 111.092 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -144.26 130.39 19.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.927 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.851 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -132.01 175.11 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 74.24 111.136 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.97 170.94 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.845 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.91 125.42 54.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 45.31 111.095 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -110.97 140.06 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.863 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 31' ' ' LYS . 4.8 t -144.89 128.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.31 111.126 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -124.91 134.53 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.52 110.899 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t0 67.1 12.5 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 61.55 110.889 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.41 26.39 25.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 42.14 112.541 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -149.64 162.78 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 75.31 110.861 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.45 119.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 71.02 111.074 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -107.68 -50.61 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 71.25 110.858 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -130.22 166.43 20.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.896 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -179.34 108.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.878 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.61 135.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.854 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.851 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -100.37 176.66 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 55.12 111.174 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -159.37 145.18 16.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 73.31 110.842 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.012 HG12 ' HB2' ' A' ' 21' ' ' ALA . 13.9 m -110.17 175.03 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 63.54 111.141 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.59 -157.01 9.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 70.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.6 52.03 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.767 0.317 . . . . 70.32 110.959 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -113.14 157.14 41.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 62.05 110.877 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -48.35 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.745 2.297 . . . . 71.3 112.288 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.49 67.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 74.21 111.101 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB1' ' CE2' ' A' ' 20' ' ' TYR . . . -99.37 12.93 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.15 111.106 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.33 19.17 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 62.04 111.133 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -126.48 11.89 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 63.32 111.14 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.528 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -125.43 22.89 7.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.845 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 72.12 -73.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 75.25 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -172.34 23.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.845 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.732 ' O ' HD12 ' A' ' 55' ' ' ILE . 49.0 t -76.09 -33.63 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.191 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB3' ' CE ' ' A' ' 48' ' ' MET . . . -77.27 -53.42 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 71.35 111.088 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.18 -26.26 42.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 14.13 112.476 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -69.39 -54.75 12.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 75.31 110.899 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 51' ' ' VAL . 2.9 mt -69.67 -30.56 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 75.44 111.133 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.558 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.47 -44.64 17.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 73.02 111.072 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.36 -50.25 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 70.04 111.105 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.33 -32.89 40.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 51.42 111.115 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.604 HD13 HD13 ' A' ' 102' ' ' LEU . 5.4 mt -67.9 -67.13 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.905 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.558 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 34.3 m-85 -56.93 -24.36 51.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 63.43 110.872 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.81 -40.54 88.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 61.13 111.051 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.558 HG21 ' CE1' ' A' ' 110' ' ' TYR . 96.6 t -76.26 -40.69 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 73.33 111.085 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -51.42 -48.0 62.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 62.43 110.867 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 68' ' ' LEU . 13.3 mttt -72.96 -29.26 62.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.906 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . -52.18 -32.53 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.23 111.095 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.4 t -75.94 -28.0 57.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.31 110.908 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -40.54 63.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 73.41 110.883 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.6 mp -81.93 -6.81 59.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 54.34 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.39 20.49 69.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 64.24 112.477 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 m -110.9 -171.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 75.2 111.105 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.08 168.17 20.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.875 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 74' ' ' ILE . 11.5 pt -120.48 179.65 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 64.21 111.125 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.22 101.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 72.54 110.879 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 72' ' ' ILE . 24.4 pt -95.73 -172.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 54.03 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.39 -169.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 74.13 110.909 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.42 100.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 71.11 110.857 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -89.38 147.7 23.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 70.34 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -79.46 -1.99 39.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.952 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . . . -60.45 -168.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 71.52 111.084 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.42 -1.8 68.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 34.51 112.512 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.09 -38.33 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 62.4 111.117 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.34 -5.57 45.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.5 111.102 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -57.51 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.2 110.853 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.467 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.58 -13.79 55.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.918 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -49.14 -26.53 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 41.23 111.091 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.1 p -63.92 -41.14 97.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.32 111.136 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.39 98.57 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 22.33 112.5 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -100.11 -62.39 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 71.25 110.939 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -98.87 160.14 14.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.932 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -64.6 87.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 61.14 110.918 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.57 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . . . -81.01 1.65 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 54.35 111.06 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -44.71 -32.43 1.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 72.35 110.832 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -77.46 59.2 1.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 51.01 110.883 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.68 -168.72 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.922 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.77 -13.95 11.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.848 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.497 HG21 ' ND1' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.14 -27.96 23.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.162 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -47.12 49.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.942 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.58 -33.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 73.44 111.102 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -53.47 -54.52 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.97 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -55.21 -29.51 58.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 40.0 111.097 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -74.54 -52.23 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.882 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.604 HD13 HD13 ' A' ' 59' ' ' LEU . 13.4 mt -59.9 -33.22 71.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 72.21 110.87 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.75 -67.36 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 64.41 110.844 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -53.47 -31.16 44.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.901 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -41.19 62.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.968 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.1 39.21 2.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.935 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.75 7.57 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 64.34 110.869 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.61 -6.01 61.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 71.11 112.507 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -40.66 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.384 . . . . 74.43 111.13 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.558 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.4 p90 -121.5 177.71 5.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.885 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.495 ' H ' HG22 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -147.98 154.04 39.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 72.21 110.835 -179.813 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -163.43 138.04 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 72.31 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.71 159.7 0.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 70.55 110.89 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.5 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 7.8 tttp -51.67 132.71 31.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.4 110.966 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -123.7 92.64 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 73.15 111.149 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -76.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.92 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.57 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . . . 179.0 164.36 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 51.01 111.092 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.497 ' ND1' HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER -163.29 -169.25 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.893 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.7 m -110.36 -74.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 61.12 110.883 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -166.61 165.36 38.33 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.702 -0.761 . . . . 55.11 112.518 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.7 -179.4 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 74.35 110.935 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -101.91 2.36 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.05 110.851 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -55.61 -29.74 59.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.894 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.753 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.5 p-10 -71.25 -38.41 71.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.34 110.881 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -25.93 18.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 43.35 110.802 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.66 -34.33 51.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 75.13 110.91 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.767 HG21 ' O ' ' A' ' 11' ' ' THR . 29.3 m -55.23 -23.89 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 72.21 111.102 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -60.95 -50.5 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 63.42 110.872 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.1 ttp -69.9 -49.56 50.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 61.02 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -50.77 68.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 75.51 110.892 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.35 -38.37 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.095 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.69 ' HG2' HD12 ' A' ' 137' ' ' ILE . 0.2 OUTLIER -52.53 -32.4 40.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.895 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.7 m -74.32 -36.26 63.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 54.11 110.876 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -76.22 -33.67 59.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.21 111.131 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 132' ' ' LYS . 4.1 mt -69.55 -24.86 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 65.44 110.851 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 99.6 20.71 16.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 52.32 112.474 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.69 HD12 ' HG2' ' A' ' 132' ' ' LYS . 11.5 mt -90.84 139.51 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 71.52 111.119 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 164.71 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 65.53 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.12 175.95 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.913 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.36 -75.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.4 110.893 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 50.89 91.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 75.04 110.88 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -96.92 84.11 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 74.43 110.823 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -152.18 -172.9 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 75.32 110.887 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.33 160.54 29.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.835 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.9 -172.29 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 70.14 110.871 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -162.86 -73.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.893 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.85 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ptm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.765 0.317 . . . . 63.12 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -168.3 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 70.43 110.843 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.47 ' OD1' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER 179.46 152.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 71.22 110.851 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -138.89 27.69 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 61.44 110.848 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.47 HG23 ' OD1' ' A' ' 3' ' ' ASP . 71.6 p -79.62 168.75 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 61.41 111.135 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 178.46 35.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.403 ' HB3' ' HD3' ' A' ' 130' ' ' LYS . 22.7 m-85 -135.08 -108.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 74.2 110.905 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -152.13 156.66 40.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 71.13 110.845 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.646 HG12 HG23 ' A' ' 11' ' ' THR . 60.2 t -91.41 142.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.24 111.132 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -71.1 78.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 65.34 110.958 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.76 ' O ' HG21 ' A' ' 127' ' ' VAL . 24.3 p -136.16 158.45 44.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 72.54 111.163 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 65.26 76.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 71.44 110.847 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.76 88.23 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.752 -0.737 . . . . 61.24 112.458 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.58 158.69 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 73.33 110.887 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -179.4 156.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 71.24 110.844 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.0 p -141.73 112.24 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 72.22 111.14 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 69.69 -71.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.25 110.858 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.32 25.15 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 74.53 112.516 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.57 -175.61 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.797 0.332 . . . . 75.33 110.891 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 45' ' ' ALA . 28.1 p90 -110.85 134.44 52.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.42 110.891 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.8 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -126.31 172.41 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 73.24 111.076 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -150.35 130.58 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.907 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.69 163.17 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 70.32 111.095 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -162.04 145.19 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 63.11 110.9 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.18 107.19 19.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 50.55 111.052 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -92.53 137.8 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.929 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 32' ' ' VAL . 17.7 t -148.98 109.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.01 111.172 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HG2' ' CD2' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -111.12 142.66 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 73.32 110.877 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t0 70.72 9.73 6.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 73.14 110.907 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.36 22.19 45.3 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.676 -0.773 . . . . 72.5 112.496 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -149.5 157.46 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 73.3 110.912 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.428 ' HA ' HG22 ' A' ' 27' ' ' VAL . 97.7 t -58.24 129.9 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 74.03 111.119 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.423 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 48.8 t-80 -107.85 -59.48 1.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 63.53 110.884 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.8 166.65 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.862 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.14 99.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 73.34 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.48 -75.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 61.15 110.895 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 64.26 109.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 64.45 111.127 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -146.99 -174.64 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.865 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 ' HB2' ' A' ' 21' ' ' ALA . 28.1 m -116.17 174.4 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 65.41 111.157 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.95 169.68 19.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.662 -0.78 . . . . 53.03 112.438 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -132.61 5.11 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 73.53 110.916 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -61.5 150.56 80.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.729 . . . . 55.22 110.868 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -48.84 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.6 2.2 . . . . 74.42 112.309 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.38 16.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 73.43 111.057 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 20' ' ' TYR . . . -99.31 -20.2 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.08 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.94 16.0 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.23 111.149 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -123.35 -0.87 8.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.24 111.148 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.24 26.6 8.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.925 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 64.01 -83.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.766 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.92 17.79 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.825 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.68 -37.72 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 65.12 111.111 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.59 -48.63 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.161 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.99 -40.86 75.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.801 -0.714 . . . . 71.24 112.454 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -54.98 -54.09 47.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 73.31 110.869 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mt -70.42 -31.7 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 60.22 111.134 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.38 -31.83 6.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 60.51 111.149 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -57.89 -53.75 54.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 43.21 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.65 -43.51 65.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 73.14 111.069 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.682 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.2 mt -52.53 -66.96 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.894 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.4 -33.53 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.974 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.42 -38.06 76.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 73.31 111.091 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.7 t -77.08 -45.15 30.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 63.04 111.178 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -51.7 -50.29 60.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 52.34 110.89 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.7 mptt -70.89 -27.93 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 72.2 110.924 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . -52.93 -31.32 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.12 111.065 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.407 ' HB2' HD12 ' A' ' 109' ' ' ILE . 3.4 t -76.3 -30.21 57.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 64.51 110.863 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -63.59 -29.34 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 71.24 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -102.57 -10.53 19.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.872 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.0 21.98 78.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 64.24 112.518 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 m -113.56 160.82 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 60.23 111.165 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 -169.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 63.15 110.849 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 pt -137.64 159.78 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 64.04 111.103 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 124.07 16.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.53 110.885 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.756 HD12 ' HB2' ' A' ' 75' ' ' LEU . 2.3 pp -150.52 -175.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.44 111.14 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.756 ' HB2' HD12 ' A' ' 74' ' ' ILE . 0.7 OUTLIER 64.51 109.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.857 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.54 19.8 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 65.31 110.813 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -61.74 131.64 50.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.814 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.19 -4.55 45.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 74.02 111.004 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.0 162.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 62.12 111.073 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.3 -14.18 59.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.696 -0.764 . . . . 73.32 112.507 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.539 HG23 ' HZ3' ' A' ' 84' ' ' TRP . 43.1 mm -68.99 -46.22 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 52.43 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.52 -10.51 59.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 75.03 111.14 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -55.53 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.867 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.539 ' HZ3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -80.21 -17.38 52.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 71.43 110.888 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.72 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -54.42 -24.29 19.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.34 111.089 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p -64.43 -16.45 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 64.23 111.144 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.69 64.79 2.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 73.24 112.522 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -37.12 51.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.858 0.361 . . . . 74.02 110.898 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -76.83 118.95 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 72.4 110.899 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.81 90.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.933 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.69 -48.8 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.125 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -90.55 -54.37 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.927 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 51.73 44.58 29.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.5 110.875 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -103.09 -74.16 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.878 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -123.1 -36.45 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.908 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.77 -45.58 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 72.14 111.157 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -43.16 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.58 -31.71 11.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 71.3 111.102 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.49 ' HD1' HD21 ' A' ' 59' ' ' LEU . 92.5 t80 -53.39 -54.78 31.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.911 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.544 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -55.26 -31.58 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 65.3 111.162 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -75.51 -45.6 37.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.953 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.682 ' CD1' HD13 ' A' ' 59' ' ' LEU . 6.3 mt -65.87 -23.74 66.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 62.14 110.953 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.6 ttp -52.84 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.926 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -53.12 -30.91 39.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 62.24 110.845 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -43.06 49.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 65.41 110.975 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.02 40.6 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 63.44 110.958 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.81 6.28 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 74.12 110.875 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.28 -6.51 65.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 64.51 112.536 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.407 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -116.1 -40.42 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 73.34 111.131 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.424 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.7 p90 -121.94 177.48 5.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.955 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.698 ' HB2' HD13 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -144.4 155.67 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 74.42 110.926 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.86 124.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.818 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.54 -178.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 73.35 110.874 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.72 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -49.12 135.48 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.91 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 100' ' ' ALA . 0.1 OUTLIER -120.94 -58.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 64.03 111.113 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.4 ' H ' ' HB2' ' A' ' 100' ' ' ALA . 6.9 mmmt 54.59 -168.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.891 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -109.54 164.94 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 64.3 111.086 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -67.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 74.14 110.832 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.8 p 179.34 -175.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.834 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.82 151.97 19.97 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.658 -0.782 . . . . 61.1 112.44 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -149.14 -166.84 2.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 63.34 110.913 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -6.72 48.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.935 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -50.52 -30.53 13.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 73.42 110.903 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.756 ' O ' HG22 ' A' ' 127' ' ' VAL . 22.8 p-10 -74.01 -38.79 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.04 110.915 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.82 -23.65 19.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.848 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.27 -37.75 56.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 52.22 110.972 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.76 HG21 ' O ' ' A' ' 11' ' ' THR . 27.0 m -57.93 -21.36 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 70.15 111.088 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -62.57 -53.36 55.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 64.14 110.931 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 10.7 ttp -72.43 -38.05 68.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.91 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.403 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -63.91 -53.32 52.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 71.33 110.841 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.51 -33.5 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 73.32 111.171 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 135' ' ' LEU . 1.1 tttp -52.07 -29.49 21.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.7 m -77.74 -34.61 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.819 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.95 -29.93 70.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 41.13 111.117 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 132' ' ' LYS . 1.8 mt -80.0 -43.98 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.932 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.88 38.36 2.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.806 -0.711 . . . . 63.41 112.457 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.14 150.31 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 65.45 111.141 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.45 165.51 13.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 71.15 110.933 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.25 120.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 62.33 110.827 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.495 HD23 ' H ' ' A' ' 141' ' ' GLU . 0.1 OUTLIER 52.39 -170.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 62.14 110.89 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.495 ' H ' HD23 ' A' ' 140' ' ' LEU . 41.8 mt-10 -83.79 -43.4 15.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.846 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -176.4 172.65 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.855 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.24 164.8 2.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.852 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.27 157.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.912 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -167.16 178.55 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.817 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -124.98 -176.99 3.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 61.31 110.804 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.869 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.848 0.356 . . . . 71.14 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.51 150.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 61.44 110.869 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -130.23 -168.74 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.915 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -137.46 28.85 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -54.87 148.84 12.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 71.13 111.118 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.67 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 38.4 tp10 -64.11 -75.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.874 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -148.28 -78.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.897 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' OD2' HG12 ' A' ' 127' ' ' VAL . 26.2 t70 -93.15 159.79 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 64.1 110.91 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.406 HG12 HG23 ' A' ' 11' ' ' THR . 75.9 t -92.75 144.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 64.41 111.11 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' HB2' ' HB1' ' A' ' 131' ' ' ALA . 20.6 t80 -70.71 78.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.984 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.723 ' O ' HG21 ' A' ' 127' ' ' VAL . 56.3 p -117.7 178.49 4.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.099 -0.501 . . . . 51.13 111.214 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.08 107.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 75.34 110.83 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.83 -169.05 29.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 45.31 112.508 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.78 153.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 73.32 110.897 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -179.77 164.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 70.3 110.889 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.5 p -141.25 114.73 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 71.13 111.175 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 70.17 -71.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.32 26.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 64.24 112.459 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -178.02 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.351 . . . . 63.02 110.934 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -106.37 134.25 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.904 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.795 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -125.98 164.92 19.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 74.42 111.071 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -143.56 130.44 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.865 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.404 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -141.98 163.69 32.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 71.33 111.112 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.652 ' HB3' HG22 ' A' ' 11' ' ' THR . 2.3 p90 -162.34 138.42 7.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 75.13 110.939 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.91 107.06 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 61.34 111.091 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -93.33 135.77 34.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 72.22 110.833 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 t -151.08 108.59 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.25 111.157 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 142.57 42.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 61.54 110.922 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t0 70.86 9.46 6.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 70.23 110.848 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.09 24.89 39.14 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.801 -0.714 . . . . 64.3 112.524 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -149.94 158.61 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 72.43 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.6 128.64 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 61.4 111.179 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -107.57 -42.13 4.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.846 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -177.95 152.94 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.92 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.87 113.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 70.43 110.846 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -128.47 -38.82 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 74.53 110.862 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 23' ' ' ALA . . . 65.52 151.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 64.45 111.069 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -154.39 176.92 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 54.42 110.838 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.795 HG12 ' HB2' ' A' ' 21' ' ' ALA . 26.9 m -117.49 174.39 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 35.21 111.123 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.11 -158.0 19.68 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 51.41 112.501 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.09 55.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 71.3 110.897 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 3.5 m120 -117.25 153.99 50.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 64.35 110.921 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -48.68 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 55.04 112.334 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 47' ' ' THR . . . -70.0 -32.17 70.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 64.32 111.069 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -78.06 -29.86 49.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 54.32 111.098 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.8 -36.78 36.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 72.43 111.083 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 44' ' ' ALA . 8.9 t -71.5 -14.12 62.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 73.14 111.096 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -90.42 11.73 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 62.11 110.915 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 70.19 -72.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 55.34 110.835 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -163.99 23.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.864 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.62 ' O ' HD12 ' A' ' 55' ' ' ILE . 61.0 t -74.44 -44.3 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.024 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.72 -20.32 58.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 42.55 111.115 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -75.43 -51.81 7.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 70.54 112.498 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -53.4 -48.71 68.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 63.13 110.946 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 51' ' ' VAL . 5.5 mt -67.99 -31.93 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 65.21 111.18 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 53' ' ' GLY . . . -50.21 -37.91 37.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 65.43 111.108 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.36 -49.74 76.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 45.31 111.112 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.06 -29.61 22.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.24 111.147 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.759 HD13 HD13 ' A' ' 102' ' ' LEU . 5.7 mt -68.09 -67.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.958 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -59.44 -23.58 62.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.898 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -64.1 -40.08 95.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.075 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 110' ' ' TYR . 84.7 t -76.42 -43.04 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 64.35 111.075 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -51.24 -49.97 60.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.601 ' O ' HD12 ' A' ' 68' ' ' LEU . 37.5 mttm -77.53 -30.31 52.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.904 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.99 -31.58 41.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 54.44 111.134 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t -75.95 -28.15 57.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 64.43 110.882 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -69.82 -41.04 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 52.54 111.0 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -86.18 -12.51 49.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 72.0 110.935 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.28 23.93 62.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.69 -0.767 . . . . 73.31 112.478 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 m -96.33 -32.54 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 65.4 111.135 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 64.0 -170.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 72.14 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 74' ' ' ILE . 6.0 pt -140.5 -178.55 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 62.22 111.163 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -53.05 121.03 6.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.821 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.699 HG22 ' HA ' ' A' ' 110' ' ' TYR . 1.1 pp -110.81 -170.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 65.42 111.11 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.35 46.71 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 61.41 110.968 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 63.49 92.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.882 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -79.08 120.57 23.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.856 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 14.7 p90 -99.79 52.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 65.24 110.888 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.66 21.8 16.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 42.34 111.133 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.27 -50.94 0.85 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.714 -0.755 . . . . 65.41 112.449 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.18 -31.29 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 74.32 111.061 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 78' ' ' TYR . . . -75.47 -11.38 60.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 62.11 111.172 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.26 -56.92 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.825 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.469 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.45 -13.29 56.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 70.34 110.973 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.83 -23.45 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 61.31 111.11 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.8 p -62.77 -37.12 85.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.129 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.21 90.26 1.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 52.44 112.473 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.49 -62.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 72.31 110.897 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.58 159.0 28.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 74.32 110.878 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -81.62 86.36 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 53.14 110.874 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.589 ' HB3' ' C ' ' A' ' 117' ' ' ALA . . . -80.84 1.11 32.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 63.25 111.104 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -45.2 -33.42 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.869 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -91.48 45.24 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 52.02 110.901 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -141.51 -76.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 74.33 110.887 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 175.88 -27.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.01 110.885 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -40.96 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.15 111.171 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -40.1 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.64 -31.05 10.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.2 111.114 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.55 ' CE2' HG21 ' A' ' 115' ' ' VAL . 83.6 t80 -53.84 -54.03 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.879 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.9 -30.06 63.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.1 111.102 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -74.18 -53.19 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.452 . . . . 75.4 110.856 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.759 HD13 HD13 ' A' ' 59' ' ' LEU . 12.3 mt -59.04 -27.11 65.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 62.33 110.94 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 ttp -54.38 -66.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 61.14 110.821 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -51.85 -30.85 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 65.34 110.883 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -46.65 64.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.33 110.901 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -129.28 36.79 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.914 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -77.6 160.67 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 73.51 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.43 -50.33 0.88 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.748 -0.739 . . . . 45.34 112.467 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -31.68 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 70.35 111.159 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.699 ' HA ' HG22 ' A' ' 74' ' ' ILE . 3.2 p90 -127.55 178.15 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 71.22 110.93 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.16 155.66 27.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 65.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -148.03 168.66 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 72.24 110.847 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -177.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.883 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -78.25 60.61 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.52 110.968 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 99' ' ' TYR . 2.4 m -51.47 153.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.453 . . . . 64.4 111.117 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 33.3 mmtt -133.6 -78.42 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 64.21 110.854 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.589 ' C ' ' HB3' ' A' ' 91' ' ' ALA . . . 177.8 96.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 34.31 111.086 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -177.16 162.99 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 64.22 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 t -109.68 -169.23 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.837 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -152.16 -141.86 3.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 75.01 112.425 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.75 -84.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 73.3 110.928 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.11 11.93 23.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 71.41 110.897 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -48.15 -39.6 21.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.866 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.743 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.3 p30 -77.68 -34.5 52.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 75.51 110.87 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.79 -23.87 60.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.866 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.74 -39.39 62.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 63.12 110.889 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 124' ' ' ASN . 17.5 m -56.36 -21.92 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 65.11 111.123 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.04 -51.72 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.887 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 9.3 ttp -72.42 -41.62 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.52 110.889 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -53.43 57.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 60.43 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -53.43 -33.79 55.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 54.21 111.115 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -31.08 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.912 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 m -78.73 -32.4 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.883 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 6' ' ' GLU . . . -75.42 -42.12 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 52.5 111.057 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER -55.13 -61.91 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.96 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.577 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 141.09 67.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 14.43 112.486 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 35.8 mm -109.54 146.22 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 75.32 111.081 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -97.5 178.96 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.849 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.82 159.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.899 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.549 HD23 ' H ' ' A' ' 141' ' ' GLU . 0.2 OUTLIER -121.89 162.63 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.933 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.549 ' H ' HD23 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -165.87 -177.16 4.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.13 110.92 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -174.01 161.66 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.846 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -174.58 163.31 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.955 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -165.83 177.71 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 61.21 110.859 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.63 173.06 5.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 64.32 110.86 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -136.72 163.23 31.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 74.3 110.914 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 70.2 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.739 0.304 . . . . 64.32 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.91 -170.36 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.882 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -147.98 -169.22 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.826 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -149.35 18.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 54.51 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p -82.58 147.27 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.15 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 75' ' ' LEU . 22.4 mt-10 -141.36 25.1 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 65.13 110.825 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.91 168.41 13.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.916 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.408 ' OD2' HG12 ' A' ' 127' ' ' VAL . 18.7 t0 -51.51 154.51 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 74.43 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.4 t -91.27 144.45 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 64.02 111.134 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.464 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 25.7 t80 -70.18 79.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.958 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.514 ' O ' HG21 ' A' ' 127' ' ' VAL . 67.2 p -107.82 179.88 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 62.14 111.156 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 40.78 77.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.919 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.23 -148.37 3.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 61.22 112.515 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.27 -170.04 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.889 0.376 . . . . 43.54 110.825 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -136.5 -177.09 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 74.41 110.94 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.5 p -141.26 115.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 72.12 111.096 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 70.31 -70.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 72.11 110.869 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.77 25.15 0.16 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 74.01 112.491 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.43 -175.65 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 73.04 110.956 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -125.67 135.2 51.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.917 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.65 125.14 31.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 62.11 111.079 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -110.21 130.7 55.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.226 -0.443 . . . . 65.53 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -135.72 163.63 29.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.52 111.128 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.17 167.63 21.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 64.54 110.941 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . . . -105.37 108.53 20.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.14 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.3 m-85 -104.5 139.8 38.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.901 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 31' ' ' LYS . 7.2 t -152.46 133.01 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 53.1 111.118 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -122.24 124.42 43.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.942 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.41 13.92 9.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.291 -0.413 . . . . 71.55 110.9 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.88 27.91 22.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 73.41 112.452 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -132.96 -179.09 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 73.21 110.92 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.1 99.77 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.41 111.105 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -85.63 -56.64 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.826 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -131.06 147.18 52.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 71.34 110.889 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -157.03 59.31 0.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.52 . . . . 73.31 110.828 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.58 103.03 4.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.903 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -62.1 -170.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 72.01 111.056 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -150.98 130.79 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 65.21 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.4 t -103.91 155.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 74.42 111.146 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.422 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -109.21 -151.68 14.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 43.11 112.497 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.35 46.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 73.12 110.869 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -121.61 153.08 59.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 62.24 110.878 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -48.53 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.689 2.259 . . . . 63.51 112.338 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.58 -33.19 69.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.35 111.104 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.91 -21.52 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 55.54 111.111 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.7 19.62 20.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 43.2 111.168 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -126.62 -1.56 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.13 111.131 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 mmt -98.7 35.21 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 74.35 110.879 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB2' HG23 ' A' ' 51' ' ' VAL . 3.3 mtt180 56.35 31.13 18.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.851 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 64.41 14.78 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 49' ' ' ARG . 84.2 t -73.2 -43.44 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 44.12 111.17 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -51.52 -30.09 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 71.32 111.061 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.92 -38.88 75.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 14.14 112.457 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -52.88 -55.34 23.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 63.32 110.947 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.597 HG22 HD21 ' A' ' 59' ' ' LEU . 3.3 mt -75.46 -31.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.13 111.097 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 52' ' ' ALA . . . -46.61 -50.39 17.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.124 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 23' ' ' ALA . . . -54.53 -49.37 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 71.03 111.105 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.87 -34.86 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 70.41 111.043 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.597 HD21 HG22 ' A' ' 55' ' ' ILE . 5.5 mt -62.11 -67.16 0.44 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 55.31 110.884 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -59.16 -28.67 66.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.946 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -62.27 -40.65 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.127 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 58' ' ' ALA . 99.3 t -76.27 -44.94 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 65.2 111.145 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -51.64 -49.45 62.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.88 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.742 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.9 mmtp -77.07 -31.24 55.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 73.44 110.915 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.08 -33.25 38.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.33 111.053 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.1 t -74.91 -28.54 60.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 60.25 110.886 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.72 -42.95 63.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 63.22 110.899 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.5 mp -79.01 -2.31 39.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.892 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.55 13.1 58.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 33.34 112.493 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.36 156.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 75.23 111.147 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.62 149.18 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.87 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.8 pt -100.21 151.95 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 74.52 111.11 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -133.68 172.18 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.926 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.3 mm -125.03 -72.26 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 71.21 111.204 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 6' ' ' GLU . 1.9 mt 68.03 -76.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 64.33 110.98 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -82.33 165.1 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 73.05 110.808 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 73.55 -1.31 3.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 62.34 110.872 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 66.61 -76.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 74.34 110.953 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 82' ' ' ALA . . . -174.13 85.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 74.31 111.124 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -49.57 -30.56 13.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.785 -0.721 . . . . 53.54 112.407 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.78 -31.74 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 74.34 111.118 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . . . -73.39 -7.7 52.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 70.33 111.087 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -62.13 -57.57 11.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 72.41 110.875 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.438 ' CZ2' HG11 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -83.78 -11.83 56.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.873 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.594 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -49.13 -26.2 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 65.1 111.083 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.5 t -64.04 -40.55 96.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 72.34 111.126 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.29 106.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.761 -0.733 . . . . 71.15 112.473 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.42 -62.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 75.52 110.921 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.94 159.52 18.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 74.53 110.931 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.89 87.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.939 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.06 1.0 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 35.42 111.091 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -45.16 -31.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.894 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -87.25 48.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.896 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.0 -168.48 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 64.51 110.824 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.85 18.08 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 75.2 110.891 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -40.92 59.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 45.45 111.163 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -40.85 45.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.933 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.18 -36.32 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 65.33 111.13 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.414 ' CD2' HG21 ' A' ' 115' ' ' VAL . 15.1 t80 -53.71 -55.36 26.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.15 110.928 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.43 -29.76 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 54.32 111.084 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -76.0 -48.52 20.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.64 -18.37 62.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.02 110.866 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.8 ttt -60.02 -67.22 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 70.35 110.872 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.0 -30.23 61.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 54.12 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -44.87 54.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.939 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -131.73 35.78 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 63.12 110.896 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -84.73 128.17 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.859 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 156.94 -20.55 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.735 . . . . 33.31 112.484 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.07 -33.08 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 64.14 111.089 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -112.14 167.93 10.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.945 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.46 142.93 47.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.832 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.35 172.1 10.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 54.24 110.853 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.87 147.14 23.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.811 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.594 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -51.52 146.66 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 65.32 110.937 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.438 HG11 ' CZ2' ' A' ' 84' ' ' TRP . 0.0 OUTLIER -122.89 149.95 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 51.14 111.18 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 8.7 mmtt -104.69 -80.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.9 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 174.83 127.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 60.43 111.097 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.85 -169.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.797 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.38 -168.89 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 64.32 110.826 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -90.65 -149.5 22.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.773 . . . . 70.14 112.509 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -178.35 -165.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 55.31 110.902 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -20.71 14.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.914 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.46 -30.83 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 64.4 110.862 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.825 ' O ' HG22 ' A' ' 127' ' ' VAL . 4.3 p30 -76.52 -42.47 43.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 62.22 110.901 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.49 -24.48 8.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.851 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.63 -30.76 22.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.13 110.954 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 124' ' ' ASN . 17.9 m -55.19 -24.07 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 64.3 111.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -53.33 -51.7 61.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.898 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.5 ttm -73.11 -42.98 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 61.1 110.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.74 -50.68 67.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.86 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.81 -38.33 61.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.15 111.087 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -53.29 -35.26 59.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -40.12 30.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 62.31 110.877 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.18 -34.02 68.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 74.32 111.149 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -77.12 -55.9 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.97 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.592 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 134.34 83.07 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 45.2 112.485 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 26.3 mm -119.08 144.0 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 70.52 111.124 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -176.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.844 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 13.7 t70 63.96 159.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.6 178.62 9.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 70.1 110.968 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.04 -177.26 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 73.23 110.865 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -150.37 140.68 22.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 64.13 110.815 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.19 151.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 72.13 110.942 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.64 170.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.91 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -161.78 -179.56 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 63.01 110.854 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.59 140.64 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.816 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 63.55 110.847 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.746 0.308 . . . . 75.34 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.04 22.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.23 110.839 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.78 98.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.9 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -98.12 30.31 3.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 72.21 110.863 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -51.22 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.05 111.173 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 71.87 -68.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 72.1 110.879 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -50.38 157.6 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.905 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -52.93 159.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 62.24 110.847 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.579 HG12 HG23 ' A' ' 11' ' ' THR . 71.7 t -90.57 142.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.082 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -70.9 78.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.981 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.736 ' O ' HG21 ' A' ' 127' ' ' VAL . 17.8 p -121.4 178.59 4.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 72.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 64.11 64.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 51.34 110.848 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.8 -3.93 75.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 64.43 112.45 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t 63.45 -169.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 74.03 110.835 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -86.63 165.63 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 73.1 110.918 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 16' ' ' VAL . 3.8 p -139.86 109.12 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 52.22 111.128 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 69.62 -71.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.05 20.23 0.35 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.747 -0.739 . . . . 74.42 112.465 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -129.06 174.74 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 71.01 110.87 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -133.65 135.31 44.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.918 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.45 170.95 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 61.01 111.072 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -139.37 132.48 29.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 64.12 110.97 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' HG22 ' A' ' 11' ' ' THR . . . -131.64 168.65 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.43 111.057 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.402 ' HB3' HG22 ' A' ' 11' ' ' THR . 2.4 p90 -161.72 147.97 13.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 71.13 110.934 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.56 107.33 19.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 72.32 111.174 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -100.57 140.05 35.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.2 110.838 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.0 t -137.18 134.23 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 75.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.39 133.54 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 63.4 110.892 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.6 t0 67.55 12.0 8.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 72.11 110.847 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.43 24.94 27.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 73.01 112.447 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 27' ' ' VAL . 1.5 ptpt -149.64 160.02 43.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 64.3 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.11 123.7 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 63.15 111.14 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -107.71 -53.08 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.868 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -130.22 152.42 49.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 63.13 110.934 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.68 91.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 71.51 110.925 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.06 -42.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 53.24 110.868 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 64.42 164.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 63.21 111.015 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.66 161.73 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.887 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 40' ' ' GLY . 17.8 t -108.54 155.43 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 75.41 111.097 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -114.49 174.96 15.8 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.483 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.54 55.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 75.44 110.945 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -127.17 156.34 74.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.569 0.7 . . . . 73.41 110.887 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' O ' HG22 ' A' ' 47' ' ' THR . 54.1 Cg_endo -69.7 -42.28 3.6 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 73.0 112.369 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.462 ' HB1' ' CZ ' ' A' ' 95' ' ' PHE . . . -52.91 -27.54 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 40.53 111.073 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.44 -45.44 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.22 111.118 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -24.22 55.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 55.31 111.125 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 43' ' ' PRO . 2.8 t -62.73 -32.98 74.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.21 111.099 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.581 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 7.3 mtp -89.05 1.13 56.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.03 110.813 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 71.93 -71.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 73.32 110.907 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.08 -30.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 74.55 110.84 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.659 ' O ' HD12 ' A' ' 55' ' ' ILE . 39.8 t -49.85 -30.44 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 74.32 111.128 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.581 ' HB2' ' CG ' ' A' ' 48' ' ' MET . . . -76.53 -58.66 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 41.22 111.076 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.44 -48.53 75.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 62.04 112.455 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.99 -39.06 62.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 73.41 110.92 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 51' ' ' VAL . 10.5 mt -76.28 -32.22 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 41.52 111.132 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HA ' ' HG ' ' A' ' 59' ' ' LEU . . . -49.08 -32.02 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 62.11 111.155 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.453 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -52.3 -51.06 60.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 50.1 111.15 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.51 68.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 54.41 111.055 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD13 HD13 ' A' ' 102' ' ' LEU . 9.0 mt -52.32 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.927 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -62.53 -34.69 77.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 60.43 110.914 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.29 83.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.473 HG21 ' CE1' ' A' ' 110' ' ' TYR . 79.0 t -76.63 -48.3 26.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.099 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -51.4 -44.11 62.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 64.03 110.918 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.7 mmtp -74.58 -30.87 61.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 42.44 110.95 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.457 ' HB3' HG13 ' A' ' 109' ' ' ILE . . . -51.19 -32.05 22.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 34.5 111.081 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB2' HD12 ' A' ' 109' ' ' ILE . 4.7 t -75.78 -33.82 60.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.903 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -62.41 -33.87 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 64.4 110.933 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -94.51 3.89 54.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.934 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.61 19.49 42.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 73.11 112.541 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 68' ' ' LEU . 7.6 m -110.95 -171.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.368 . . . . 75.01 111.123 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.05 -169.07 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.951 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.634 HD12 ' NH1' ' A' ' 73' ' ' ARG . 10.7 pt -137.89 -178.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.15 111.183 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.634 ' NH1' HD12 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -52.85 147.86 8.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.828 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 111' ' ' SER . 2.3 tp 179.43 -35.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 65.14 111.133 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.63 -48.61 58.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 62.2 110.9 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -157.3 53.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.854 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.58 ' OD1' ' HB2' ' A' ' 79' ' ' ALA . 45.4 t0 -73.27 -61.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.53 110.903 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 t80 56.39 24.15 8.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.881 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.58 ' HB2' ' OD1' ' A' ' 77' ' ' ASP . . . -64.92 -175.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 72.54 111.128 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.81 -37.17 56.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 65.23 112.45 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.623 HG23 ' HZ3' ' A' ' 84' ' ' TRP . 47.9 mm -50.56 -32.82 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 65.33 111.132 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 86' ' ' THR . . . -78.53 -34.26 47.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 65.34 111.077 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -55.3 27.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 73.21 110.89 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.623 ' HZ3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -72.16 -32.52 66.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 74.33 110.93 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.04 -29.65 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 62.53 111.111 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 82' ' ' ALA . 27.3 p -64.95 -24.79 67.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 54.4 111.158 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.67 73.08 1.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.781 -0.723 . . . . 74.34 112.547 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -55.4 -25.99 39.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 65.34 110.866 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -95.39 118.88 32.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 72.33 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 88.53 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 54.31 110.914 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.61 -49.93 13.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 75.34 111.063 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -91.27 -42.57 10.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 62.41 -86.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 75.22 110.874 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 60.48 -86.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.55 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.462 ' CZ ' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -146.84 12.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.53 110.881 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.18 -32.71 59.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.04 111.195 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -46.17 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.897 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.02 91.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.52 111.059 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.465 ' CG ' HG21 ' A' ' 55' ' ' ILE . 14.7 m-85 -52.68 -35.05 54.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 63.25 110.975 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -71.81 -28.89 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 73.45 111.145 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -74.45 -44.36 52.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 64.14 110.918 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.484 HD13 HD13 ' A' ' 59' ' ' LEU . 49.2 mt -54.04 -20.93 7.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 72.31 110.859 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -65.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.929 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -57.94 -31.45 66.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 70.31 110.948 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.62 67.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.93 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -114.22 27.12 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.92 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.74 128.45 33.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 64.42 110.881 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 156.85 -24.46 0.49 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.728 -0.749 . . . . 71.15 112.478 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.457 HG13 ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -105.78 -33.16 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 72.24 111.12 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.473 ' CE1' HG21 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -127.54 178.04 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 75.42 110.892 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.719 ' O ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -148.42 163.71 36.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 63.54 110.864 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.57 171.9 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 75.52 110.859 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -78.09 161.51 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 64.54 110.844 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.23 129.08 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 61.24 110.922 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.458 HG23 ' HB1' ' A' ' 100' ' ' ALA . 1.0 OUTLIER -118.14 140.46 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 65.33 111.116 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -130.76 -76.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 70.02 110.907 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -179.3 133.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.51 111.102 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.07 -169.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.445 . . . . 74.22 110.816 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -150.58 172.77 14.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.835 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.15 -149.9 5.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 71.14 112.529 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.85 -78.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 75.44 110.847 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.64 10.99 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 65.35 110.924 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -48.01 -41.37 25.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 64.1 110.929 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.756 ' O ' HG22 ' A' ' 127' ' ' VAL . 8.5 p30 -75.7 -40.31 55.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 72.4 110.875 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.16 -23.09 32.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.818 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -51.97 -42.52 62.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 65.41 110.948 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 124' ' ' ASN . 20.5 m -55.78 -25.4 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.03 111.129 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.18 -50.06 74.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 14.2 ttp -72.38 -40.69 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.24 110.91 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -54.01 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.932 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.34 -33.83 55.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 53.42 111.147 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -30.47 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.856 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.4 m -73.29 -34.85 65.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 53.54 110.855 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.2 -39.44 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 64.23 111.149 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.92 -44.83 63.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.97 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.99 37.82 2.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 62.42 112.445 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 33.7 mm -63.55 -38.91 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 75.33 111.091 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 64.66 119.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.51 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -155.73 -170.02 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.819 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.37 -178.93 7.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 64.14 110.949 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 51.26 -169.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 73.15 110.858 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.53 166.65 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.788 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.8 t60 62.78 101.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 53.54 110.919 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -178.73 100.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 63.03 110.888 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -136.52 -177.35 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.843 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -171.39 73.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 71.32 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 74.12 110.879 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.794 0.331 . . . . 72.3 110.862 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.21 -179.5 6.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.851 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -139.63 -168.34 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.877 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -151.38 20.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 62.23 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.8 p -73.61 -176.14 2.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.095 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.78 -64.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.822 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -50.0 164.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.915 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -50.83 157.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 64.02 110.87 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.617 HG12 HG23 ' A' ' 11' ' ' THR . 58.5 t -90.18 142.19 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 51.01 111.112 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -70.57 79.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.979 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.714 ' O ' HG21 ' A' ' 127' ' ' VAL . 27.9 p -118.76 178.97 4.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 64.35 111.169 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER 63.03 -171.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 61.41 110.903 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.14 141.97 12.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 73.24 112.488 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.58 177.07 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.352 . . . . 60.31 110.847 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.591 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 13.7 t80 -140.26 -70.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 73.12 110.9 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -143.41 128.97 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 53.14 111.125 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 46.27 -158.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 74.41 110.928 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.07 51.94 4.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 64.24 112.458 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.05 -175.63 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 63.11 110.937 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -129.05 136.56 50.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 75.12 110.926 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 15' ' ' TYR . . . -142.85 173.17 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.116 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.611 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 24.5 p-90 -138.65 130.41 27.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.891 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' HG22 ' A' ' 11' ' ' THR . . . -135.34 168.38 19.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 55.31 111.183 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -163.05 165.21 25.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.882 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.5 107.09 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.062 -0.517 . . . . 52.43 111.061 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.2 m-85 -91.14 140.08 30.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 74.1 110.946 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 t -144.02 127.91 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 73.2 111.137 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -121.62 131.69 54.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 74.41 110.891 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.15 13.42 8.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.888 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.5 23.34 37.04 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.767 -0.73 . . . . 70.21 112.473 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.72 170.15 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 44.35 110.876 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.48 119.48 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 61.44 111.087 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -107.58 -49.3 3.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 75.01 110.846 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -130.18 163.63 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 73.13 110.909 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -171.6 96.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.925 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -174.46 119.14 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 73.33 110.818 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.52 -176.78 6.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 64.34 111.123 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -153.87 138.95 17.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 54.31 110.844 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.9 t -105.18 155.49 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.13 111.131 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -111.41 -163.31 17.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 73.33 112.438 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.77 52.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 52.11 110.902 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -114.65 154.91 46.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.596 0.712 . . . . 63.12 110.906 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.534 ' O ' HG22 ' A' ' 47' ' ' THR . 54.4 Cg_endo -69.72 -48.76 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 71.54 112.367 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.75 -19.95 63.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 60.41 111.125 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.77 -35.19 13.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 61.52 111.105 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.22 -40.78 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 65.54 111.108 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 43' ' ' PRO . 5.6 t -60.54 -20.13 59.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 73.11 111.127 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.63 ' O ' HG23 ' A' ' 51' ' ' VAL . 25.4 mtp -90.97 12.48 19.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 73.43 110.861 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 69.94 -72.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 73.34 110.857 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -162.59 22.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 52.31 110.867 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.743 ' O ' HD12 ' A' ' 55' ' ' ILE . 35.9 t -74.18 -51.0 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 71.22 111.13 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.581 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -66.73 -20.13 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 62.32 111.091 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.49 -49.81 8.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 61.13 112.529 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 12' ' ' ASP . 21.0 pt-20 -64.97 -47.93 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 73.01 110.884 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 51' ' ' VAL . 4.5 mt -65.89 -32.01 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.5 111.103 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 22' ' ' TRP . . . -47.05 -49.07 22.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 52.44 111.086 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' A' ' 23' ' ' ALA . . . -49.78 -54.65 17.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.14 111.062 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.05 -30.13 24.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 32.24 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.1 mt -69.49 -67.29 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.928 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.584 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 34.1 m-85 -58.46 -25.05 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 71.41 110.94 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.65 96.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 74.41 111.125 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 58' ' ' ALA . 93.8 t -76.28 -43.76 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 54.14 111.132 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -51.86 -48.21 64.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 63.2 110.929 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.72 -31.19 56.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.884 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.9 -32.36 32.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 75.1 111.133 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -76.07 -28.86 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.83 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -72.48 -43.57 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.939 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.6 mp -77.91 -3.24 40.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 74.2 110.926 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.42 11.39 59.42 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 33.44 112.506 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 m -101.65 -171.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 71.12 111.111 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.99 -169.93 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.864 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 74' ' ' ILE . 8.9 pt -138.15 -178.99 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.52 111.154 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -52.5 107.89 0.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 65.15 110.848 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.625 HG22 ' N ' ' A' ' 111' ' ' SER . 22.1 pt -112.93 -13.86 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 71.1 111.142 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.44 HD22 HG13 ' A' ' 74' ' ' ILE . 4.5 mm? -75.77 66.53 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 71.45 110.898 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 51.22 61.42 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 64.33 110.884 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -51.37 110.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 75.11 110.855 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -85.3 49.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 65.14 110.85 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.99 -165.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.096 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.39 -35.24 35.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 71.33 112.469 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.62 HG21 ' CD1' ' A' ' 112' ' ' PHE . 1.9 mp -56.14 -24.1 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 74.34 111.169 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.3 -22.74 12.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.052 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.31 -56.44 11.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 73.3 110.901 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.461 ' CE3' HG12 ' A' ' 115' ' ' VAL . 8.1 m-90 -73.0 -29.92 63.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.889 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.59 -28.67 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 62.13 111.145 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.7 p -70.02 -38.9 76.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.5 111.173 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.13 68.42 1.55 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 43.05 112.539 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -100.2 -63.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 55.54 110.91 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -175.48 159.35 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 62.24 110.9 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.88 95.4 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.55 110.83 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.481 ' HB3' ' CD2' ' A' ' 118' ' ' HIS . . . -77.03 -48.06 18.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.31 111.148 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -54.56 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.855 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 40.97 39.18 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 73.15 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -117.81 -75.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.97 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.4 -17.29 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 64.32 110.845 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.459 HG21 ' H ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.49 -34.98 60.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 53.2 111.167 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HG3' ' HB2' ' A' ' 117' ' ' ALA . 3.8 mp0 -58.11 -42.17 85.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 43.04 110.986 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.5 -36.29 22.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 63.45 111.172 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.793 ' CD2' HG21 ' A' ' 115' ' ' VAL . 5.6 t80 -53.59 -48.57 69.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.925 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -60.78 -27.27 67.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 64.54 111.124 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -74.71 -51.39 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 64.32 110.886 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.49 ' CD1' HD13 ' A' ' 59' ' ' LEU . 7.7 mt -53.89 -24.66 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 60.3 110.895 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.874 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.9 -30.52 61.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 71.22 110.905 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -47.76 50.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 62.43 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 34.79 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 43.21 110.924 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 128.15 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 74.42 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.54 -21.68 0.33 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.789 -0.72 . . . . 53.52 112.517 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -33.7 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 73.32 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.401 ' CB ' HD11 ' A' ' 72' ' ' ILE . 9.1 p90 -115.75 177.75 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 63.43 110.915 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.625 ' N ' HG22 ' A' ' 74' ' ' ILE . 1.8 m -139.78 151.75 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.863 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -175.95 172.76 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.14 110.915 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.41 164.11 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.894 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -71.59 78.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 61.4 110.943 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.793 HG21 ' CD2' ' A' ' 99' ' ' TYR . 15.0 m -50.87 111.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 62.44 111.107 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.6 mmtt -71.22 -78.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.863 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 176.31 150.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 60.4 111.106 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -179.77 -177.1 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 70.12 110.814 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 p -91.29 -169.08 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.857 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -111.76 138.39 14.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 45.41 112.545 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -135.85 -140.15 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 62.34 110.919 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -106.12 -2.69 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.924 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -53.09 -26.5 16.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 55.33 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.741 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.5 p30 -75.6 -36.64 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.34 110.894 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.62 -24.02 45.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.954 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -52.17 -36.97 53.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.99 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 124' ' ' ASN . 27.2 m -55.58 -22.11 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 74.52 111.188 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -61.48 -53.02 61.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 75.04 110.876 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.8 ttm -69.15 -44.3 72.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.867 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -49.11 78.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.944 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.82 68.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 52.01 111.145 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -51.84 -30.0 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 72.13 110.851 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.1 t -70.72 -45.84 64.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.823 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.46 74.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 53.11 111.069 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.05 93.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 63.45 110.897 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 100.89 29.39 6.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 71.44 112.515 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.08 147.86 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 73.52 111.142 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.81 158.02 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.864 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.39 177.57 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.879 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.704 ' C ' HD22 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -155.67 164.91 37.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 42.03 110.935 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.528 ' N ' HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -172.64 -176.13 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.53 110.932 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -142.4 44.23 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 61.24 110.877 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.72 173.7 11.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.81 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.18 153.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 74.2 110.938 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -173.94 153.75 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.875 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -136.15 163.91 29.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.885 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 73.03 110.846 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 73.43 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -170.36 -172.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 70.23 110.86 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -155.24 175.16 14.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 63.25 110.843 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -92.51 119.2 31.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.881 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.4 p -138.69 -78.1 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 74.43 111.173 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 61.65 62.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.918 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.738 ' CD2' ' HB2' ' A' ' 134' ' ' ALA . 16.2 p90 -174.6 135.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.15 110.945 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.446 ' OD1' HG12 ' A' ' 127' ' ' VAL . 17.8 t70 -49.55 160.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.872 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.764 HG12 HG23 ' A' ' 11' ' ' THR . 78.9 t -89.74 142.9 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 72.43 111.127 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -71.25 78.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 70.31 110.904 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.764 HG23 HG12 ' A' ' 9' ' ' VAL . 61.6 p -130.82 155.52 46.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 64.45 111.162 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.35 59.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 62.13 110.855 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.18 66.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.667 -0.778 . . . . 41.15 112.438 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.53 126.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 72.41 110.849 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -158.14 161.34 37.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 70.3 110.947 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 16' ' ' VAL . 8.6 p -142.24 125.38 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 62.4 111.148 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 46.19 -156.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.879 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.95 54.96 3.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.681 -0.771 . . . . 74.25 112.461 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -143.93 -179.21 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 55.32 110.845 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.482 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 9.0 p90 -129.76 134.59 47.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.887 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.84 159.48 40.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 63.45 111.114 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -132.47 130.53 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 72.43 110.968 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.965 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -127.99 168.14 15.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 62.02 111.05 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.08 176.57 11.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 71.54 110.934 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.21 125.65 51.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 74.53 111.124 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.53 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.4 m-85 -113.69 140.46 48.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.828 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 t -143.32 133.17 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 44.43 111.141 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' CE ' HD23 ' A' ' 68' ' ' LEU . 1.2 mmmt -139.39 141.81 37.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 63.45 110.907 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 66.44 13.15 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 25.01 110.858 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.84 7.73 68.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 23.41 112.401 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -134.52 169.47 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 70.04 110.89 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -64.38 125.61 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.22 111.156 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -107.53 -57.59 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.32 110.834 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -130.14 159.86 35.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 73.21 110.911 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.52 87.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 75.34 110.885 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -159.69 138.99 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 64.23 110.826 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.965 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -92.85 179.88 5.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 63.15 111.115 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.35 148.95 30.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 45.14 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.9 t -108.73 155.65 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 75.24 111.17 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -114.41 -154.61 11.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 52.42 112.451 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.34 55.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 64.21 110.945 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -122.38 154.85 62.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 71.1 110.899 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.67 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.653 2.236 . . . . 73.32 112.381 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.91 69.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 45.43 111.102 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB1' ' CE2' ' A' ' 20' ' ' TYR . . . -95.04 14.11 22.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.44 111.122 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.07 12.6 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 74.43 111.153 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -119.62 12.69 12.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.114 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.39 22.36 8.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 52.21 110.975 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 72.09 -73.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 70.14 110.852 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -172.15 22.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.848 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.12 -32.82 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 72.5 111.118 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.24 -55.9 5.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 74.1 111.107 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.84 -33.62 56.37 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.744 -0.741 . . . . 71.14 112.483 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.62 -54.39 47.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 53.33 110.86 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mt -74.02 -31.49 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 72.2 111.175 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.502 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.55 -38.02 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 62.31 111.069 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -51.0 -47.41 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.41 111.122 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.52 -37.56 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 72.33 111.113 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.9 mt -62.81 -66.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 52.32 110.991 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.502 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 36.7 m-85 -53.64 -28.35 32.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.951 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.77 80.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.043 -0.526 . . . . 54.41 111.079 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 58' ' ' ALA . 69.7 t -75.93 -43.36 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.107 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -51.5 -48.41 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.89 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.701 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -77.2 -31.38 55.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 52.33 110.902 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.03 -34.39 42.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 51.15 111.11 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 t -73.95 -28.79 61.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 52.51 110.897 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -72.22 -39.57 68.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 54.24 110.953 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -82.49 1.56 37.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.888 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.87 22.01 39.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 45.42 112.512 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 68' ' ' LEU . 8.1 m -108.77 -175.9 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 52.13 111.206 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -138.19 152.53 48.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.957 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.6 pt -100.21 179.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 71.34 111.115 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.6 140.88 33.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 62.42 110.849 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 111' ' ' SER . 28.5 pt -151.26 178.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 65.42 111.1 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 68.54 -75.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.05 110.934 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -110.82 96.21 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 64.42 110.871 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.58 -49.78 5.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.819 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 51.8 30.24 6.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 74.12 110.933 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.25 -169.52 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.51 . . . . 73.24 111.148 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -56.28 -22.68 38.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.742 . . . . 64.11 112.567 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.502 HG23 ' HE3' ' A' ' 84' ' ' TRP . 8.0 mm -79.58 -21.18 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 75.04 111.11 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.52 -37.03 74.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 51.35 111.131 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -92.91 -20.93 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 62.15 110.902 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.742 ' CE3' HG21 ' A' ' 115' ' ' VAL . 12.7 t90 -75.9 -27.15 57.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 73.34 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.763 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -80.93 -18.83 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 74.54 111.127 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -65.08 -23.12 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 73.41 111.163 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.41 76.82 1.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 71.24 112.502 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -30.7 26.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 72.13 110.903 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.06 123.95 29.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 73.43 110.935 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.93 98.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.858 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.61 -48.78 18.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 71.33 111.155 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.07 -37.97 23.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.849 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 40.96 40.58 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 62.32 110.921 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.51 -75.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.934 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.82 12.68 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 73.24 110.892 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.666 HG22 ' CZ2' ' A' ' 84' ' ' TRP . 0.0 OUTLIER -75.48 -40.5 57.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 73.13 111.164 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -39.68 35.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 62.14 110.888 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.19 -40.83 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 61.41 111.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.517 ' HD1' HD21 ' A' ' 59' ' ' LEU . 73.0 t80 -52.27 -55.51 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.913 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.4 -32.25 38.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 53.34 111.063 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -76.93 -56.52 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.33 110.927 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.556 ' CD1' HD13 ' A' ' 59' ' ' LEU . 46.8 mt -55.69 -21.71 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 54.11 110.86 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.91 -67.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 61.32 110.847 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -56.43 -30.49 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 72.25 110.893 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -49.22 54.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.874 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.493 ' OH ' HD22 ' A' ' 59' ' ' LEU . 1.9 p90 -126.84 35.45 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.946 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.89 129.56 34.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.838 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.74 -21.18 0.38 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 43.1 112.497 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -31.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 62.24 111.17 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -117.7 177.6 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 75.33 110.963 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.487 ' H ' HG22 ' A' ' 74' ' ' ILE . 3.3 t -148.75 161.46 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.828 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -170.93 172.84 5.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.869 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.43 155.07 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 63.32 110.927 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.79 101.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.96 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.763 HG23 ' HA ' ' A' ' 85' ' ' ALA . 3.4 p -114.13 146.97 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 70.33 111.164 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -129.84 -65.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 52.22 110.872 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.68 160.21 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.097 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 179.62 -169.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.22 110.797 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.6 p -82.66 -75.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 62.22 110.859 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 139.44 -173.83 22.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.662 -0.78 . . . . 65.12 112.47 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -179.42 -169.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 55.31 110.902 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -6.84 51.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.913 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -51.61 -29.72 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.772 ' O ' HG22 ' A' ' 127' ' ' VAL . 2.8 p30 -74.04 -41.98 60.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.873 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.58 -25.04 9.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 63.52 110.931 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -52.43 -36.26 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.92 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 124' ' ' ASN . 32.5 m -55.57 -23.58 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 42.33 111.156 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -60.85 -53.59 55.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 73.51 110.873 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -39.94 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 60.24 110.883 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -46.69 86.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 72.45 110.914 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.93 71.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.109 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.69 ' HG2' HD12 ' A' ' 137' ' ' ILE . 3.4 mttp -59.58 -36.03 75.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 73.51 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 t -59.75 -31.74 69.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 65.2 110.832 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.738 ' HB2' ' CD2' ' A' ' 7' ' ' TYR . . . -51.61 -40.4 59.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 71.51 111.059 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 mp -88.46 -13.6 39.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 74.14 110.952 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.87 36.79 35.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 72.53 112.422 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.69 HD12 ' HG2' ' A' ' 132' ' ' LYS . 4.1 mt -70.56 138.41 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 73.23 111.077 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -173.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.896 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.11 141.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.51 110.917 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.33 99.57 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.03 110.877 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -157.2 142.64 17.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 73.53 110.891 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -177.91 118.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 73.03 110.839 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.46 -173.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.891 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 61.48 176.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.848 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.48 -171.52 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 71.21 110.783 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -113.81 176.73 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 64.55 110.822 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 70.52 110.906 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.777 0.322 . . . . 74.22 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -159.12 24.26 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 53.12 110.844 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -70.34 165.24 22.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.147 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -157.03 26.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.876 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.594 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 23.6 m-85 -139.02 154.05 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 64.4 110.879 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -50.89 153.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 60.24 110.846 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.615 HG12 HG23 ' A' ' 11' ' ' THR . 94.0 t -90.39 147.68 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.175 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -68.39 78.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.685 ' O ' HG21 ' A' ' 127' ' ' VAL . 71.1 p -139.36 164.19 30.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 63.5 111.129 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.549 ' CG ' HD11 ' A' ' 81' ' ' ILE . 0.9 OUTLIER 64.5 108.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.896 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.22 85.53 1.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 73.33 112.459 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 t -175.6 141.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 75.45 110.866 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -179.23 157.39 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.896 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.6 p -129.08 115.21 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.23 111.147 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 70.43 -70.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 54.31 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.84 23.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 53.55 112.474 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -175.65 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 71.11 110.907 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -129.0 134.66 48.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.927 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.15 150.78 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 74.05 111.059 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -120.81 130.6 54.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.903 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 11' ' ' THR . . . -132.18 165.55 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 72.14 111.061 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.84 163.91 29.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 54.34 110.919 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.75 126.6 53.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 62.13 111.092 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.673 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.6 m-85 -109.12 140.06 43.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.53 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.0 t -143.43 129.41 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 74.35 111.087 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -124.55 134.26 53.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.918 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 t0 66.97 12.65 9.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.865 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.28 25.48 28.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 63.22 112.468 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 27' ' ' VAL . 8.3 ptpt -149.54 162.04 40.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 72.1 110.859 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.09 121.53 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 75.32 111.092 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -107.66 -46.04 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 64.41 110.841 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -130.21 177.31 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 71.31 110.896 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -179.36 103.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.942 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.92 145.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 65.31 110.855 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.59 -171.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.102 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -156.95 138.65 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 40' ' ' GLY . 17.6 t -111.52 155.67 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.121 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.417 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -101.78 -147.24 19.67 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 51.02 112.491 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.4 -33.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 71.04 110.881 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -50.76 147.8 8.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.736 . . . . 72.31 110.896 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' O ' HG22 ' A' ' 47' ' ' THR . 53.2 Cg_endo -69.8 -46.21 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 52.52 112.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.56 -30.78 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 73.12 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.21 -17.38 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 73.02 111.08 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.56 19.29 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 72.55 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 43' ' ' PRO . 14.3 t -125.97 -2.89 7.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 73.55 111.166 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.0 mmm -96.35 33.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 63.3 110.868 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.558 ' HB2' HG23 ' A' ' 51' ' ' VAL . 11.8 mtt180 63.42 28.05 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.34 110.821 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 64.22 15.32 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.558 HG23 ' HB2' ' A' ' 49' ' ' ARG . 86.9 t -72.96 -42.86 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.45 111.133 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -51.93 -29.69 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 53.24 111.08 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.78 -43.44 59.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.469 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -55.03 -54.65 40.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.361 . . . . 74.51 110.865 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.72 -30.19 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.12 111.092 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.19 -46.45 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.42 111.124 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.488 ' HB3' ' HB ' ' A' ' 11' ' ' THR . . . -50.18 -55.16 16.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 62.15 111.074 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.85 -29.8 21.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 73.42 111.056 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.6 mt -69.79 -67.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 61.21 110.932 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.619 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 33.6 m-85 -58.74 -23.27 59.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.964 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.54 96.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 61.33 111.088 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.8 t -76.28 -43.1 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.14 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -51.62 -47.92 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.894 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 68' ' ' LEU . 3.6 mmtm -76.66 -30.09 56.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.935 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.56 -31.78 37.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.116 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.4 t -76.06 -28.69 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.84 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -71.28 -41.01 70.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 72.44 110.895 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -81.96 0.67 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.946 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.63 17.03 47.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 65.05 112.481 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 68' ' ' LEU . 6.1 m -105.2 -179.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 73.23 111.17 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.78 153.77 48.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 54.12 110.877 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -100.06 179.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 75.45 111.134 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 61.13 110.896 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 82' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.909 0.385 . . . . 73.12 110.906 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 55.7 -168.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 65.33 111.135 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.46 -25.36 74.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 21.44 112.469 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.549 HD11 ' CG ' ' A' ' 12' ' ' ASP . 2.0 mp -65.19 -32.97 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.866 0.365 . . . . 61.54 111.171 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 78' ' ' TYR . . . -74.62 -5.44 43.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 62.02 111.098 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -68.75 -57.88 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 64.23 110.877 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -16.57 46.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 70.54 110.953 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 115' ' ' VAL . . . -58.03 -20.65 40.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.24 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 71.43 111.136 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.948 0.404 . . . . 71.32 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -26.89 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 71.24 111.172 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -45.1 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 62.21 110.927 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.1 -33.32 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 71.13 111.095 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.419 ' CE2' HG21 ' A' ' 115' ' ' VAL . 9.5 t80 -54.31 -54.42 40.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.914 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.76 -31.92 65.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 60.43 111.144 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -74.27 -48.67 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.908 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.71 ' CD1' HD13 ' A' ' 59' ' ' LEU . 10.3 mt -58.19 -20.03 38.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.35 -66.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 45.11 110.872 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.23 -31.19 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 63.3 110.908 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -44.16 52.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 72.54 110.9 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -131.92 34.85 3.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 72.42 110.952 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -81.3 128.43 33.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 74.41 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.3 -21.03 0.41 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 52.21 112.468 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.02 -33.59 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 73.1 111.176 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -115.65 177.38 4.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.955 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -145.2 154.32 42.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 45.22 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.3 171.89 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 70.43 110.891 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.17 -173.25 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.88 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.52 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 3.0 ttpp -77.24 124.25 27.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.925 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -119.52 105.36 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 64.33 111.174 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -67.72 -81.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.874 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -178.52 -174.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.03 111.101 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 60.8 t60 64.63 158.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.5 -176.37 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 63.13 110.847 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 142.39 91.58 0.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 30.5 112.462 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 t30 179.91 -167.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 73.01 110.911 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -105.32 9.4 33.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.921 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -51.24 -29.33 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.43 110.887 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.72 ' O ' HG22 ' A' ' 127' ' ' VAL . 13.2 p30 -75.67 -39.98 56.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 75.53 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.35 -24.95 13.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 71.24 110.843 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.82 -36.78 59.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.926 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 124' ' ' ASN . 19.8 m -57.27 -20.31 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.33 111.123 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.15 -50.71 70.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.909 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 7.4 ttp -72.45 -41.21 66.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 61.42 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -54.2 44.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 45.12 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.3 -33.96 55.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 73.31 111.149 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.42 -33.0 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.899 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.0 t -71.75 -32.68 67.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 62.13 110.889 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.594 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -79.92 -42.85 23.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 43.35 111.098 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 136' ' ' GLY . 2.5 tt -52.94 -56.58 14.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 74.23 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.589 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 137.34 74.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 52.23 112.475 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.544 HD11 HD22 ' A' ' 135' ' ' LEU . 24.0 mm . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 61.1 111.154 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.799 0.333 . . . . 74.34 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -93.11 16.62 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -88.1 134.11 33.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 74.22 111.139 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -142.99 20.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 71.54 110.873 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -117.5 164.34 15.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 73.41 110.928 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -50.51 153.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.078 -0.51 . . . . 73.02 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.565 HG12 HG23 ' A' ' 11' ' ' THR . 55.4 t -90.84 143.46 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 54.11 111.161 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -71.71 78.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 63.24 110.943 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.696 ' O ' HG21 ' A' ' 127' ' ' VAL . 11.2 p -119.71 179.15 4.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.079 -0.51 . . . . 73.05 111.2 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.84 63.61 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.859 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.4 -110.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 74.24 112.469 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -172.02 145.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 61.44 110.836 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -51.97 168.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 75.14 110.892 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -140.25 110.63 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 73.12 111.211 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 70.26 -69.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 64.42 110.906 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.84 -36.71 0.07 OUTLIER Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.714 -0.755 . . . . 52.35 112.414 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.48 HE22 ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -83.19 -178.86 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 70.41 110.898 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.488 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 51.0 p90 -113.77 168.06 10.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 71.4 110.942 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.682 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -147.49 162.67 38.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 53.21 111.16 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.3 p-90 -141.66 130.57 23.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 75.02 110.913 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 11' ' ' THR . . . -128.72 169.13 14.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 64.23 111.088 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.05 169.98 22.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 55.02 110.917 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.52 125.12 53.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 71.12 111.146 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.642 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.4 m-85 -111.74 138.4 48.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 64.3 110.897 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 t -144.65 129.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 72.42 111.091 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -127.64 137.37 52.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 71.3 110.836 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 67.91 11.96 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.851 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.06 22.06 36.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 54.22 112.489 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.58 157.48 43.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 65.23 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -54.95 123.12 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 61.2 111.095 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -106.75 -44.97 4.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.839 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -130.38 174.99 9.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 61.34 110.906 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -177.81 105.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 73.43 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.79 159.33 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 72.43 110.908 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -127.83 175.08 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 64.55 111.072 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -153.84 170.68 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 71.25 110.913 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 21' ' ' ALA . 8.5 m -123.4 157.83 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 65.21 111.113 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.48 ' N ' HE22 ' A' ' 19' ' ' GLN . . . -92.31 -155.79 32.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 64.22 112.532 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.98 33.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 75.04 110.922 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -105.13 154.28 38.92 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 71.42 110.924 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' O ' HG22 ' A' ' 47' ' ' THR . 54.0 Cg_endo -69.76 -48.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.685 2.256 . . . . 63.23 112.286 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.7 -18.32 65.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 75.34 111.092 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB1' ' CZ ' ' A' ' 20' ' ' TYR . . . -90.47 -36.26 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 73.31 111.157 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.31 -41.7 80.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 63.23 111.148 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 43' ' ' PRO . 2.4 t -59.42 -20.82 57.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.086 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.412 ' HG3' ' HB2' ' A' ' 52' ' ' ALA . 17.9 mmt -83.34 1.45 41.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.01 110.917 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 62.06 -86.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.865 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -134.14 3.5 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.853 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.1 t -73.27 -39.71 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 61.01 111.105 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.412 ' HB2' ' HG3' ' A' ' 48' ' ' MET . . . -70.73 -47.19 61.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 60.44 111.092 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.39 -20.73 38.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 64.1 112.556 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.83 -55.45 8.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 73.43 110.92 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.0 mt -75.06 -30.51 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 71.25 111.086 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.38 -33.46 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 51.34 111.085 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.98 83.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.24 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.39 -29.27 23.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 63.34 111.142 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.506 HD13 HD13 ' A' ' 102' ' ' LEU . 9.4 mt -62.32 -66.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 62.11 110.923 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.78 98.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.5 111.057 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 58' ' ' ALA . 87.1 t -76.26 -47.27 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.13 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -51.61 -44.59 62.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.845 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.732 ' O ' HD12 ' A' ' 68' ' ' LEU . 18.0 mmmt -75.24 -30.79 60.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 73.53 110.847 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 71' ' ' LYS . . . -51.18 -36.24 40.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 64.41 111.087 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.424 ' HA ' HG21 ' A' ' 109' ' ' ILE . 4.3 t -70.47 -29.84 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 35.51 110.855 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -73.92 -40.62 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 62.23 110.908 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.1 mp -85.63 -8.78 58.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 52.2 110.88 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.71 35.13 37.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 30.23 112.524 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 68' ' ' LEU . 14.4 m -110.12 -30.29 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 72.52 111.186 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER 66.5 -174.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.5 110.857 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.1 pt -136.05 179.48 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 63.41 111.122 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.925 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.923 0.392 . . . . 74.21 110.942 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 50.22 -167.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 63.54 111.11 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.43 -8.83 63.44 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 72.03 112.461 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.52 HG23 ' HZ3' ' A' ' 84' ' ' TRP . 8.9 mm -75.59 -46.14 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 64.03 111.165 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.33 -21.08 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.14 111.158 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -63.8 -55.58 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.23 110.828 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.52 ' HZ3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -81.01 -24.22 38.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.914 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.64 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -52.09 -28.3 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 70.32 111.149 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.181 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.959 0.409 . . . . 74.32 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -25.93 28.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 75.3 111.22 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.02 -47.11 44.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.891 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.23 94.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 74.23 111.083 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -53.02 -33.7 52.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 70.54 110.886 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.33 -29.16 63.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.03 111.118 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -74.2 -44.84 51.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 75.03 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.506 HD13 HD13 ' A' ' 59' ' ' LEU . 57.5 mt -58.35 -19.91 39.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.15 110.893 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.3 ttt -53.42 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 64.35 110.89 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -55.47 -33.46 63.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -49.25 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 73.22 110.914 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.42 ' CD1' HG11 ' A' ' 62' ' ' VAL . 1.7 p90 -115.29 30.29 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 63.14 110.93 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -85.49 127.07 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.526 . . . . 75.42 110.956 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 155.68 -20.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 55.11 112.458 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.424 HG21 ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -108.1 -33.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 65.03 111.125 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -118.92 177.82 4.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.948 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.48 141.62 23.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 64.54 110.922 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -154.75 172.16 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 75.23 110.867 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 154.97 36.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 61.55 110.918 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -51.21 132.68 28.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.92 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -121.57 145.99 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 75.22 111.185 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -135.43 -76.95 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 62.21 110.917 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -177.64 133.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.44 111.108 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -174.93 155.85 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 73.5 110.864 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.7 p -50.55 167.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 53.55 110.942 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -108.35 -165.88 21.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 62.45 112.502 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -179.31 -168.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.321 . . . . 62.15 110.843 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -83.38 2.7 35.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 71.3 110.985 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -53.21 -29.99 35.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 74.23 110.893 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.794 ' O ' HG22 ' A' ' 127' ' ' VAL . 4.6 p30 -73.53 -38.23 65.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 72.5 110.897 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.4 -24.93 21.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 74.33 110.88 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.27 -34.18 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 71.23 110.861 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 124' ' ' ASN . 35.0 m -55.24 -24.35 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 62.52 111.126 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -56.59 -52.35 65.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.847 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -41.12 66.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.817 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.29 65.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 55.54 110.907 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.33 -36.57 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.0 111.171 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.644 ' HA ' HD12 ' A' ' 135' ' ' LEU . 2.1 tttt -52.55 -31.21 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.928 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 m -76.38 -35.02 58.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.885 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.42 -31.49 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 74.31 111.076 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 132' ' ' LYS . 2.1 mt -77.63 -51.49 10.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.35 110.904 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 115.95 41.14 0.79 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.706 -0.759 . . . . 75.21 112.451 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.9 mm . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.814 0.34 . . . . 62.54 111.168 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.82 0.343 . . . . 74.12 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -158.74 27.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 64.51 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 p -63.26 -76.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.23 111.158 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 63.81 16.5 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.424 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 24.2 m-85 -134.73 154.0 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.709 ' OD2' HG12 ' A' ' 127' ' ' VAL . 22.2 t0 -51.23 151.62 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.844 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.551 HG12 HG23 ' A' ' 11' ' ' THR . 73.2 t -91.39 142.78 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 75.3 111.154 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -71.48 79.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.927 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.605 ' O ' HG21 ' A' ' 127' ' ' VAL . 41.3 p -116.14 173.33 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.134 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.16 157.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.14 110.867 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.13 146.95 8.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 62.43 112.471 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -169.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.358 . . . . 74.24 110.831 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.722 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 16.1 t80 -147.35 -70.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.89 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.94 131.01 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.01 111.069 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 45.73 -156.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.899 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.93 50.22 4.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.47 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -179.2 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 73.41 110.831 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -125.99 135.45 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.31 110.971 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.722 ' HB3' ' HB2' ' A' ' 15' ' ' TYR . . . -147.54 173.05 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.094 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 28.8 p90 -139.34 130.62 26.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.848 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -131.79 165.38 23.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 55.4 111.077 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.81 167.93 24.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.924 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.18 125.36 54.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 54.35 111.073 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.648 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.7 m-85 -112.34 138.18 49.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.921 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.8 t -145.31 128.02 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 75.3 111.143 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.69 135.78 54.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.921 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.16 12.51 9.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 64.13 110.924 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.24 24.23 32.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 33.11 112.498 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' N ' HG13 ' A' ' 27' ' ' VAL . 5.2 ptpt -149.42 159.87 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 71.43 110.887 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.95 122.15 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.34 111.087 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -107.71 -45.06 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 73.14 110.865 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.11 -175.74 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.915 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -174.72 -168.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 73.02 110.827 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 65.26 153.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.876 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -120.33 -169.5 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.02 111.087 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -142.3 138.56 31.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.897 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.3 t -101.77 155.22 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 64.31 111.147 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -124.09 163.06 17.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.717 -0.754 . . . . 51.34 112.45 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 48.06 1.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 72.25 110.844 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -90.02 154.63 47.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.536 0.684 . . . . 75.11 110.945 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -48.33 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.676 2.251 . . . . 71.51 112.375 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.59 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.084 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.57 -52.57 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.118 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.1 93.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.139 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.7 t -58.14 -21.92 48.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 65.41 111.185 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.83 15.73 14.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 71.41 110.865 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 69.72 -73.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.774 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -164.3 23.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 75.3 110.87 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 119' ' ' SER . 88.9 t -74.39 -43.82 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.05 111.091 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.572 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -75.83 -23.37 55.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.066 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.64 -48.81 9.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 72.23 112.501 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -57.03 -46.95 81.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 74.12 110.905 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.628 HD13 HG23 ' A' ' 96' ' ' THR . 2.6 mt -74.3 -30.39 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 72.31 111.106 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.639 ' HB3' ' HB3' ' A' ' 22' ' ' TRP . . . -46.28 -33.45 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 73.42 111.104 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.46 ' HB3' ' HB ' ' A' ' 11' ' ' THR . . . -52.8 -54.05 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 71.12 111.144 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.08 68.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 60.1 111.125 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.693 HD13 ' CD1' ' A' ' 102' ' ' LEU . 14.5 mt -53.19 -67.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.924 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -65.82 -21.26 66.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.111 -0.495 . . . . 75.11 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -47.58 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 62.3 111.16 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 110' ' ' TYR . 99.6 t -71.95 -44.65 66.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.41 111.068 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -51.29 -47.86 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.04 110.891 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.641 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.8 mptt -76.6 -29.9 56.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 60.01 110.893 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.62 -33.5 46.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 64.42 111.1 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.8 t -73.71 -28.63 61.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 64.01 110.918 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -70.86 -38.68 73.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 52.01 110.889 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.68 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -87.42 4.45 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 72.13 110.933 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.9 25.61 31.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 52.12 112.453 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 68' ' ' LEU . 10.3 m -114.48 149.19 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.402 . . . . 64.41 111.108 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.81 149.62 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.911 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.9 pt -100.47 179.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 51.14 111.14 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.823 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.918 0.389 . . . . 65.34 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.492 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . . . -99.77 -169.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 63.04 111.09 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.5 -21.13 48.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 63.42 112.44 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.467 HG23 ' CZ3' ' A' ' 84' ' ' TRP . 12.1 mm -80.05 -46.03 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.348 . . . . 74.24 111.113 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.66 -9.65 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 74.3 111.049 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -75.99 -56.05 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 70.23 110.869 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.566 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.48 -19.22 42.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 75.22 110.979 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -48.69 -28.77 3.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 53.3 111.126 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 73.21 111.176 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.916 0.388 . . . . 75.01 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.628 HG23 HD13 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -53.43 -26.9 21.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.43 111.175 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -49.85 -40.15 41.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.909 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.58 -31.53 10.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 72.23 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.43 ' CE2' HG21 ' A' ' 115' ' ' VAL . 88.6 t80 -54.09 -54.75 35.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.907 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -54.94 -32.73 61.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 61.23 111.109 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -74.81 -47.25 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.884 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.693 ' CD1' HD13 ' A' ' 59' ' ' LEU . 6.7 mt -64.02 -15.77 60.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.899 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.26 -66.15 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 62.03 110.937 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -51.15 -32.59 23.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.841 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -41.68 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 73.41 110.789 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.418 ' CD1' HG11 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -128.55 31.18 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.856 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.83 126.8 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 72.53 110.896 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.94 -20.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 54.13 112.46 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -33.88 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 73.03 111.127 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.505 ' CE1' HG21 ' A' ' 62' ' ' VAL . 4.7 p90 -118.77 177.86 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.945 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.17 152.13 34.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 51.33 110.822 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -166.69 138.27 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.91 173.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 72.01 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.512 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -51.66 139.69 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 63.51 110.921 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -132.76 103.81 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 75.35 111.111 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -74.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 62.24 110.893 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.566 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -178.08 158.43 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 64.51 111.124 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -176.82 151.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.797 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.606 ' O ' HG13 ' A' ' 51' ' ' VAL . 58.5 m -70.69 -74.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 73.42 110.873 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -177.24 179.74 47.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 61.14 112.5 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.31 -169.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 73.2 110.82 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -99.36 8.68 44.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 65.51 110.921 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -75.98 -30.84 58.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.808 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.775 ' O ' HG22 ' A' ' 127' ' ' VAL . 11.0 p30 -74.34 -38.33 63.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.898 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -54.75 -24.72 23.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.88 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.07 -34.27 42.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.916 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.775 HG22 ' O ' ' A' ' 124' ' ' ASN . 34.8 m -55.22 -25.15 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 71.35 111.158 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -46.58 90.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 72.44 110.855 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -49.25 33.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 72.1 110.877 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -54.92 34.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.937 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.55 -34.8 59.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 73.25 111.093 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.637 ' HG2' HD12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -52.61 -30.94 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.879 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.63 -32.81 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.02 110.808 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -69.79 -41.97 74.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.42 111.098 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.54 -24.62 62.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 64.25 110.93 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.3 31.8 7.37 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.768 -0.73 . . . . 51.43 112.44 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.637 HD12 ' HG2' ' A' ' 132' ' ' LYS . 20.9 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 70.05 111.18 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.616 ' CG ' HG23 ' A' ' 5' ' ' THR . 18.1 t0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.773 0.321 . . . . 64.25 110.855 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.61 24.15 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.902 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.616 HG23 ' CG ' ' A' ' 3' ' ' ASP . 48.2 p -66.99 168.09 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 61.32 111.174 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 179.96 33.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.93 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -151.11 159.81 44.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 71.4 111.002 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.403 ' OD1' HG12 ' A' ' 127' ' ' VAL . 15.9 t70 -51.64 158.9 0.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.195 -0.457 . . . . 65.33 110.882 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.665 HG12 HG23 ' A' ' 11' ' ' THR . 55.9 t -91.49 142.54 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 61.24 111.15 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -71.52 79.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 64.53 110.881 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.812 ' O ' HG21 ' A' ' 127' ' ' VAL . 19.2 p -128.04 164.91 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 75.23 111.124 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.49 102.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 72.01 110.866 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.0 85.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.792 -0.718 . . . . 52.53 112.518 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -175.76 145.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 40.13 110.831 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -179.31 161.47 1.09 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 71.13 111.017 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.6 p -140.33 115.06 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.066 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 70.37 -70.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 65.55 110.924 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.93 21.76 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.839 -0.696 . . . . 55.52 112.505 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -177.44 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 74.01 110.921 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -116.59 134.63 54.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 64.33 110.932 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.8 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -128.71 165.75 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 73.34 111.007 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -140.34 130.67 25.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.909 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -138.39 150.35 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 63.24 111.165 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -153.3 156.09 37.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 63.13 110.86 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.48 129.23 45.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 64.51 111.118 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.545 ' CE2' HD11 ' A' ' 68' ' ' LEU . 2.4 m-85 -114.38 140.08 48.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.867 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -142.79 138.69 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 60.2 111.07 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.8 132.43 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 62.22 110.873 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 68.13 11.59 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.883 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.96 27.69 25.51 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.743 -0.741 . . . . 60.44 112.465 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -149.65 159.53 44.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.369 . . . . 75.42 110.922 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -54.98 119.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.161 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -107.78 -51.62 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 54.24 110.814 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -130.21 166.68 19.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 72.12 110.931 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.63 100.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 74.34 110.898 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.14 130.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.864 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.515 ' CB ' ' HB2' ' A' ' 23' ' ' ALA . . . -103.43 173.88 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 70.24 111.072 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -157.35 172.35 18.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.873 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 ' HB2' ' A' ' 21' ' ' ALA . 13.4 m -122.44 166.08 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 72.45 111.098 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.56 -143.76 12.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 61.34 112.473 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 34.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 64.03 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -102.17 149.04 36.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.608 0.718 . . . . 72.13 110.877 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.414 ' O ' HG23 ' A' ' 47' ' ' THR . 54.7 Cg_endo -69.73 -49.02 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.704 2.269 . . . . 75.51 112.342 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.647 ' HB1' ' CE1' ' A' ' 95' ' ' PHE . . . -65.09 -42.04 94.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 63.12 111.088 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.66 -14.25 60.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 54.23 111.078 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.67 17.99 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 74.34 111.071 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 43' ' ' PRO . 2.2 p -117.53 -19.24 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.161 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.588 ' O ' HG23 ' A' ' 51' ' ' VAL . 66.2 mmm -94.51 20.31 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 73.44 110.815 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 66.43 -78.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 75.55 110.905 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -155.09 18.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.838 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 48' ' ' MET . 24.7 t -73.8 -48.42 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.15 111.125 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.474 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -65.17 -49.53 69.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 35.24 111.104 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.76 -20.79 62.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 44.53 112.492 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.23 -55.65 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 63.55 110.848 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.62 -30.84 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.23 111.114 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.23 -33.01 4.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.099 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -59.17 -57.83 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 54.11 111.111 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.79 -37.13 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 64.31 111.166 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.579 HD11 ' CD1' ' A' ' 99' ' ' TYR . 7.2 mt -58.02 -67.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.923 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -57.57 -31.96 66.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 73.22 110.985 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -56.73 -39.67 74.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 70.44 111.067 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 58' ' ' ALA . 83.6 t -76.37 -44.25 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.55 111.045 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -51.37 -49.84 60.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.835 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.671 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.87 -31.34 56.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 54.32 110.961 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.31 -35.17 49.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.134 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.0 t -72.53 -28.79 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.904 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -70.27 -38.79 75.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 60.02 110.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -85.36 4.58 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.43 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.29 20.22 43.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.789 -0.719 . . . . 64.1 112.451 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 68' ' ' LEU . 8.5 m -109.89 178.1 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.965 0.412 . . . . 63.34 111.093 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -130.59 -170.93 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 74.11 110.883 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.1 pt -139.56 142.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.23 111.098 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 73.2 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.979 0.419 . . . . 73.32 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.64 -172.2 3.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 51.43 111.092 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.45 -33.69 40.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 64.12 112.458 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.601 HG21 ' CD1' ' A' ' 112' ' ' PHE . 1.2 mp -69.34 -31.62 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 51.31 111.109 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.58 82.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.057 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -24.21 16.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.812 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.664 ' CE3' HG21 ' A' ' 115' ' ' VAL . 12.1 t90 -78.62 -27.41 45.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 75.44 110.912 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.745 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -81.91 -10.94 59.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 44.44 111.182 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.14 111.128 -179.837 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.647 ' CE1' ' HB1' ' A' ' 44' ' ' ALA . 3.5 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.958 0.409 . . . . 73.22 110.861 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.79 -46.86 71.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.141 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.83 -44.74 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.939 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.01 98.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 64.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.579 ' CD1' HD11 ' A' ' 59' ' ' LEU . 19.7 m-85 -53.74 -34.48 59.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 73.13 110.891 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.7 -27.11 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 60.53 111.084 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -74.6 -45.4 45.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.568 ' CD1' HD13 ' A' ' 59' ' ' LEU . 12.0 mt -54.89 -22.9 16.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 70.12 110.93 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.2 ttt -51.8 -66.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 64.2 110.849 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -55.34 -30.6 60.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 75.01 110.885 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -46.14 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 71.24 110.959 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -131.03 35.91 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 74.41 110.943 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.38 128.45 34.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 64.1 110.866 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.6 -20.85 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 43.35 112.523 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.73 -33.58 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 75.55 111.065 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.41 ' CE1' HG11 ' A' ' 62' ' ' VAL . 20.6 p90 -112.46 177.49 4.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 72.14 110.925 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.19 129.1 19.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 62.45 110.808 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.601 ' CD1' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -141.92 173.12 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.895 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.99 148.87 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 63.24 110.839 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.45 101.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.911 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.745 HG23 ' HA ' ' A' ' 85' ' ' ALA . 2.0 p -108.47 150.56 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 62.52 111.062 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -130.49 -75.67 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 75.3 110.872 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.95 136.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 71.04 111.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -158.83 -82.1 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 74.55 110.84 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.4 p 177.44 -175.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 73.12 110.856 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.31 157.13 25.69 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.735 -0.745 . . . . 75.22 112.443 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.28 -77.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 63.34 110.942 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.82 -17.55 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -50.51 -36.99 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 65.31 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.792 ' O ' HG22 ' A' ' 127' ' ' VAL . 0.4 OUTLIER -76.36 -41.2 48.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 64.12 110.934 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.73 -24.67 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 64.41 110.852 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.9 -36.45 48.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.925 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.812 HG21 ' O ' ' A' ' 11' ' ' THR . 34.6 m -56.45 -23.57 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 61.4 111.165 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -62.06 -53.22 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 74.31 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 12.3 ttp -71.57 -32.85 68.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.54 110.883 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.66 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 74.33 110.937 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.82 71.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 53.23 111.069 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -52.05 -34.29 42.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.882 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.6 m -59.33 -41.27 88.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.756 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.54 -42.89 75.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 51.34 111.076 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.44 -24.23 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.902 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.47 41.73 9.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 54.12 112.479 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 52.55 111.133 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.823 0.344 . . . . 64.44 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -165.37 31.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.15 110.852 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 p -50.14 153.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.12 111.096 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 43.4 tp10 -51.52 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.826 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.43 -74.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.918 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -89.76 153.06 20.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.919 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.672 HG12 HG23 ' A' ' 11' ' ' THR . 75.0 t -93.49 146.42 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.51 111.203 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -70.07 79.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 75.33 110.913 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.672 HG23 HG12 ' A' ' 9' ' ' VAL . 82.2 p -135.42 178.31 7.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 72.11 111.135 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 64.07 102.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.85 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.72 -152.15 20.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 65.15 112.489 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.87 146.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 73.33 110.926 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -179.72 156.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 53.12 110.937 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -141.67 113.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.42 111.142 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 70.06 -71.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 70.21 110.824 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.5 26.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 64.1 112.471 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.93 -175.59 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.836 0.35 . . . . 72.11 110.864 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -129.57 135.54 48.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.938 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.16 169.3 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.25 111.17 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -135.92 130.47 33.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 72.1 110.883 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.552 ' O ' HG22 ' A' ' 11' ' ' THR . . . -131.83 166.22 22.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 70.35 111.136 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.83 159.31 26.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 65.04 110.879 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.43 119.9 40.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 63.02 111.099 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.668 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.2 m-85 -106.45 136.84 45.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.84 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 31' ' ' LYS . 4.3 t -148.39 131.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.121 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.65 134.87 52.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 65.3 110.958 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t0 66.39 13.24 9.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.27 -0.423 . . . . 71.14 110.892 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.6 23.43 36.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 72.11 112.425 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.1 ptpt -149.5 161.29 42.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 71.5 110.874 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.99 128.14 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.35 111.107 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -106.44 -59.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.85 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.84 134.46 11.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 71.53 110.883 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -126.85 132.77 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 41.43 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.37 107.91 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 72.11 110.878 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.44 -178.64 7.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 71.41 111.145 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -157.16 148.02 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 75.04 110.827 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 40' ' ' GLY . 21.2 t -113.43 155.33 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 60.04 111.163 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -107.64 -161.07 21.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 34.44 112.522 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.65 33.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 62.41 110.851 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -90.01 154.59 47.45 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.678 0.752 . . . . 75.11 110.9 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 44.45 112.398 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.17 -21.63 64.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 73.14 111.057 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.57 -25.42 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 72.45 111.06 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.67 17.54 19.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 55.04 111.16 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -118.79 -13.5 9.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 70.31 111.217 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 90.6 mmm -95.52 32.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 73.1 110.977 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.554 ' HB2' HG23 ' A' ' 51' ' ' VAL . 1.5 mtt180 63.59 28.13 15.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 70.3 110.913 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 64.0 15.68 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 61.13 110.843 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.554 HG23 ' HB2' ' A' ' 49' ' ' ARG . 95.2 t -72.75 -43.03 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.1 111.14 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.29 -39.29 56.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 72.01 111.102 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.31 -33.57 58.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.745 -0.74 . . . . 71.02 112.488 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.17 -54.29 48.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 54.14 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 mt -67.78 -31.27 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 74.52 111.17 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.436 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -47.29 -42.29 20.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.117 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.07 -48.56 61.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 71.41 111.085 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.4 -40.68 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 61.42 111.131 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.6 mt -58.23 -67.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 71.03 110.846 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.436 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 30.2 m-85 -56.14 -32.43 64.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 65.32 110.957 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.18 83.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 74.34 111.061 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.472 HG21 ' CE1' ' A' ' 110' ' ' TYR . 68.9 t -76.02 -44.49 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 72.45 111.079 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -51.49 -46.63 63.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 53.21 110.946 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.711 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.82 -30.12 56.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 62.23 110.909 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.06 -31.39 30.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 73.11 111.073 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.6 t -76.17 -28.46 57.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 65.23 110.895 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -73.36 -46.85 46.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 70.13 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -75.68 -5.16 44.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 63.43 110.867 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.97 11.77 58.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 71.12 112.446 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 m -97.53 173.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 61.21 111.141 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -138.23 148.5 44.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.943 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.6 pt -100.04 -178.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 73.13 111.077 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.877 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.767 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.876 0.37 . . . . 63.13 110.901 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.01 37.53 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 51.41 111.145 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.87 -76.92 0.4 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 44.21 112.476 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.94 -41.88 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 64.23 111.205 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.767 ' HB3' ' HA ' ' A' ' 78' ' ' TYR . . . -74.26 -23.31 59.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.23 111.124 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -55.3 27.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.908 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.578 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.15 -26.01 36.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.918 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.536 ' HB2' HG12 ' A' ' 115' ' ' VAL . . . -60.13 -19.55 54.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 52.24 111.07 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 82' ' ' ALA . 44.3 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 62.4 111.103 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.922 0.391 . . . . 71.05 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -44.65 93.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 72.43 111.177 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -42.14 49.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 72.35 110.946 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.3 -35.91 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.069 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -54.19 -54.02 45.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.921 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.406 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -55.64 -29.05 58.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.23 111.133 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -49.96 20.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 61.2 110.902 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.626 ' CD1' HD13 ' A' ' 59' ' ' LEU . 59.6 mt -61.64 -18.11 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.925 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -66.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 65.25 110.858 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.47 -32.32 57.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 51.33 110.906 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -48.99 53.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 72.34 110.893 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -124.04 31.83 5.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 75.21 110.898 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 133.25 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 72.22 110.914 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.66 -19.63 0.69 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.652 -0.785 . . . . 63.44 112.399 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.1 -33.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 54.23 111.153 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.472 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.4 p90 -125.5 178.07 5.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 73.01 110.885 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -167.42 161.65 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.851 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -156.73 172.35 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.818 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -170.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 70.12 110.856 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -75.94 68.03 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 73.13 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.1 m -56.88 120.7 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.1 111.115 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -112.36 -75.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.889 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.578 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -179.77 139.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 62.15 111.112 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -159.75 153.45 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.41 110.853 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -75.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 52.25 110.861 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 167.13 167.17 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 64.41 112.537 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -174.71 -161.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.744 0.307 . . . . 62.15 110.919 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.41 8.67 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.91 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -50.17 -36.94 32.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 73.12 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.819 ' O ' HG22 ' A' ' 127' ' ' VAL . 14.9 p-10 -76.56 -39.93 51.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.877 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.59 -24.56 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 63.1 110.859 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -59.72 -44.54 93.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.45 . . . . 70.33 110.877 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 124' ' ' ASN . 6.0 m -55.87 -21.2 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 72.31 111.18 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.14 -47.24 85.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 62.44 110.87 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 13.6 ttp -72.97 -44.54 60.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -53.68 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.01 110.889 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.06 -34.06 54.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 74.22 111.083 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -30.93 33.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.865 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.07 -37.53 38.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 75.54 110.801 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 6' ' ' GLU . . . -64.43 -42.87 95.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 71.41 111.094 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER -64.65 -49.97 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.11 110.926 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.6 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 120.49 82.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 74.1 112.556 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 72.11 111.126 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.833 0.349 . . . . 74.22 110.874 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -106.86 20.08 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -94.47 159.85 14.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.107 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -179.35 50.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 63.23 110.872 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -131.87 -86.89 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.901 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -153.56 156.15 37.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 65.21 110.824 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.569 HG12 HG23 ' A' ' 11' ' ' THR . 47.4 t -100.75 139.37 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 75.44 111.076 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.603 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 33.7 t80 -72.62 78.27 1.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.905 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.616 ' O ' HG21 ' A' ' 127' ' ' VAL . 2.8 p -120.02 178.38 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 41.44 111.183 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.43 90.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 53.01 110.93 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.68 -93.63 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 65.34 112.504 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 p -176.99 -75.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 72.15 110.888 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 p90 179.48 172.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.96 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.0 p -141.68 109.93 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 73.5 111.123 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 69.69 -71.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 64.43 110.853 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.45 20.52 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 74.41 112.464 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.2 -176.25 3.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 62.54 110.903 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -110.81 134.44 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 60.23 110.985 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.627 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -121.01 171.93 8.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 61.33 111.031 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -155.7 130.49 9.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.647 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -129.75 175.65 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 62.41 111.141 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.31 171.27 20.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 63.2 110.924 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . . . -115.85 126.97 54.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 53.32 111.162 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -110.07 139.96 44.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 72.15 110.905 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.4 t -144.17 132.03 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 73.52 111.137 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.55 132.55 49.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 70.15 110.858 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 67.58 11.88 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 74.13 110.837 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.75 26.13 23.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 63.42 112.462 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.8 ptpt -149.47 162.36 40.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 75.41 110.88 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.51 120.9 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 70.24 111.152 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -107.71 -48.55 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.893 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.04 177.51 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.909 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.38 111.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.888 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.22 -176.93 1.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.934 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.647 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -155.69 172.67 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 72.34 111.089 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -153.98 168.35 26.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 55.35 110.914 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 21' ' ' ALA . 21.4 m -118.54 156.92 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.41 111.108 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.17 151.15 18.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.691 -0.766 . . . . 74.11 112.475 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 47.47 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 73.43 110.916 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -94.94 156.42 38.01 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 54.34 110.886 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -42.68 3.15 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.743 2.295 . . . . 75.41 112.306 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.63 -31.66 59.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 70.4 111.054 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.58 -52.05 10.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 13.52 111.082 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.99 -39.79 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 74.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -41.77 78.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 73.53 111.119 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.434 ' HE3' ' HB3' ' A' ' 48' ' ' MET . 10.4 mmm -118.48 59.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 55.24 110.87 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.95 161.52 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.877 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.5 t30 72.38 -69.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.867 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 119' ' ' SER . 99.7 t -52.31 -46.4 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 70.32 111.114 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.89 -27.24 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.092 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.14 -51.63 42.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 72.02 112.431 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.67 -43.1 72.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 74.14 110.898 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 51' ' ' VAL . 6.9 mt -73.77 -32.46 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 63.43 111.123 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.29 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 32.31 111.092 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.97 -47.21 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 52.1 111.059 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.64 -40.83 63.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.24 111.077 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.7 mt -56.91 -67.03 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.414 . . . . 75.21 110.892 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -57.39 -36.18 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 65.34 110.952 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.54 -38.58 78.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 70.03 111.078 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 58' ' ' ALA . 87.1 t -76.13 -45.29 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 61.53 111.089 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -51.93 -45.93 64.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.891 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 68' ' ' LEU . 8.6 mttt -76.29 -31.42 58.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.293 -0.412 . . . . 62.01 110.859 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.8 -31.77 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.34 111.133 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.475 ' HB2' HD12 ' A' ' 109' ' ' ILE . 6.5 t -76.3 -33.78 59.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 72.14 110.906 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -63.97 -40.53 96.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 54.44 110.903 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.3 mp -83.81 2.43 38.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.846 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.73 21.6 36.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 72.23 112.485 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 68' ' ' LEU . 5.6 m -112.01 -179.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 72.02 111.087 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.84 157.46 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.883 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.8 pt -99.57 179.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.45 111.177 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.84 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.939 0.399 . . . . 34.1 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.07 174.19 5.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 74.44 111.16 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.95 -23.88 32.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 71.54 112.51 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.64 -46.35 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 75.12 111.139 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.645 ' HB2' ' HE1' ' A' ' 112' ' ' PHE . . . -71.86 -26.11 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 54.11 111.053 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -56.84 -56.56 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 75.44 110.928 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.95 -17.79 45.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 75.24 110.928 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.534 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -54.1 -24.16 16.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 54.02 111.162 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 74.32 111.161 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.6 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.897 0.38 . . . . 74.33 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.458 HG21 ' H ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.57 -34.81 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.217 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 15.4 mt-30 -65.0 -41.28 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.924 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.11 -32.95 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.35 111.145 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.444 ' HD1' HD21 ' A' ' 59' ' ' LEU . 74.1 t80 -53.51 -54.48 36.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.919 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -54.47 -30.53 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 64.33 111.041 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -74.64 -45.53 44.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 64.52 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.527 ' CD1' HD13 ' A' ' 59' ' ' LEU . 85.9 mt -66.93 -22.52 65.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.899 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.8 ttt -55.34 -67.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 54.51 110.877 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.84 -30.34 61.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.85 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -43.95 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.919 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.99 36.82 3.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.9 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 162.76 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.953 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.32 -51.87 0.81 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 62.42 112.462 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -76.87 -27.76 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 72.22 111.139 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -128.93 177.53 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.971 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 m -155.51 161.72 40.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 74.05 110.846 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.645 ' HE1' ' HB2' ' A' ' 82' ' ' ALA . 1.6 m-85 -170.51 170.5 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.43 110.838 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.46 172.48 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 71.32 110.912 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -70.03 83.34 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 70.4 110.871 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 100' ' ' ALA . 3.8 m -62.33 149.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 63.22 111.098 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -129.27 -73.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 63.15 110.922 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.424 ' HB2' ' HG2' ' A' ' 97' ' ' GLN . . . 178.23 97.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 62.14 111.096 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.458 ' H ' HG21 ' A' ' 96' ' ' THR . 19.7 t-80 -176.26 152.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 63.25 110.847 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.642 ' HB3' HG13 ' A' ' 51' ' ' VAL . 1.3 m -177.12 160.09 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.01 110.916 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.37 82.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 53.12 112.484 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -179.84 177.0 0.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.754 0.311 . . . . 73.33 110.909 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -95.28 3.62 54.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 65.24 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -52.15 -29.56 22.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.792 ' O ' HG22 ' A' ' 127' ' ' VAL . 5.3 p-10 -77.07 -49.44 15.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 70.14 110.879 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.87 -24.13 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 63.34 110.871 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -52.07 -28.93 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.971 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.792 HG22 ' O ' ' A' ' 124' ' ' ASN . 22.1 m -57.4 -20.24 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 64.43 111.144 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -59.08 -52.82 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.826 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -40.43 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.891 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -53.33 59.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 71.33 110.976 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.92 -34.39 55.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 54.44 111.111 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -52.57 -39.09 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 71.23 110.88 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -32.38 44.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 75.12 110.822 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.91 74.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 33.43 111.093 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -83.13 -46.94 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 55.13 110.95 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.586 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 117.65 88.45 1.3 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.758 -0.734 . . . . 35.54 112.501 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 42.4 mm . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 63.05 111.135 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.89 0.376 . . . . 74.1 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -116.14 23.13 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.12 110.945 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 p -62.74 149.74 43.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 53.51 111.146 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.11 -53.67 6.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.878 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 179.61 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.91 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -82.73 165.12 20.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.862 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.654 HG12 HG23 ' A' ' 11' ' ' THR . 67.8 t -111.43 142.96 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.12 111.151 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.34 79.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.2 110.904 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.654 HG23 HG12 ' A' ' 9' ' ' VAL . 24.0 p -122.53 178.76 4.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 74.34 111.17 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.73 85.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 61.45 110.856 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.92 85.79 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 42.12 112.473 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.39 141.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 74.23 110.808 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -179.34 161.67 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.501 . . . . 73.05 110.971 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.7 p -135.51 115.55 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 65.22 111.14 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 70.35 -70.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 71.03 110.84 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.24 22.43 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 50.13 112.515 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.98 -177.91 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 72.15 110.904 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -109.82 134.59 51.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 70.11 110.879 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.979 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -134.2 173.13 11.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 55.33 111.09 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 -144.13 130.41 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.901 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -138.11 132.68 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 72.51 111.086 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -136.58 144.89 44.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.963 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.31 129.3 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 33.4 111.085 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE2' HD11 ' A' ' 68' ' ' LEU . 2.0 m-85 -117.32 128.14 54.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.54 110.833 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -150.46 109.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.51 111.167 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 142.77 47.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.873 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t0 73.72 6.73 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.843 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.01 26.7 28.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 71.44 112.491 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -149.92 162.68 39.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 72.24 110.833 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.96 114.36 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 63.21 111.112 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -95.79 -39.55 9.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 72.51 110.837 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 -179.19 5.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.87 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.14 -177.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 73.1 110.875 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.39 164.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 64.23 110.866 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 23' ' ' ALA . . . -128.66 -173.51 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.12 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -153.38 156.77 38.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 51.35 110.897 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.979 HG12 ' HB2' ' A' ' 21' ' ' ALA . 25.7 m -112.47 172.74 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 54.32 111.074 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.63 -152.38 10.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.796 -0.716 . . . . 72.31 112.51 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 34.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 73.12 110.933 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.95 151.88 38.02 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.629 0.728 . . . . 75.41 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.91 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 64.11 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.84 -24.85 62.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 72.42 111.12 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.18 -57.15 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 51.43 111.144 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.12 -38.82 71.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 44.12 111.126 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -57.87 -24.38 57.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 62.01 111.162 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.1 mtp -95.15 17.67 13.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.846 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 69.85 -73.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.845 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -162.74 22.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 62.4 110.947 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 48' ' ' MET . 32.4 t -74.4 -50.88 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.097 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.516 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -63.65 -40.59 97.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 72.21 111.046 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.04 -24.46 35.24 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.798 -0.715 . . . . 54.2 112.484 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -73.46 -54.42 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 75.43 110.934 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.477 HG21 ' CG ' ' A' ' 99' ' ' TYR . 10.9 mt -69.51 -31.62 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.1 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.66 -31.93 7.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 70.31 111.067 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.62 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 64.43 111.106 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.6 -31.69 37.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 74.44 111.062 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.54 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.3 mt -61.68 -67.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 60.32 110.932 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.27 -30.56 66.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.96 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -59.63 -40.23 86.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 72.23 111.13 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.481 HG21 ' CE1' ' A' ' 110' ' ' TYR . 91.7 t -76.17 -45.29 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.127 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -53.51 -48.14 69.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.904 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.708 ' O ' HD12 ' A' ' 68' ' ' LEU . 15.5 mmtt -76.85 -30.63 56.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 74.41 110.927 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -51.93 -35.33 45.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 61.44 111.056 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.422 ' HB2' HD12 ' A' ' 109' ' ' ILE . 4.1 t -70.34 -28.48 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 71.21 110.845 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -73.93 -39.88 63.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 64.34 110.941 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -86.47 -6.64 58.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.13 35.18 41.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 53.42 112.513 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 68' ' ' LEU . 22.9 m -107.91 -32.65 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 65.22 111.094 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.87 -169.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 73.52 110.863 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 pt -142.42 179.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.31 111.097 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.857 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 121.012 0.434 . . . . 44.11 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.71 -169.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 73.33 111.113 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.99 -14.62 73.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 41.13 112.543 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.1 mm -80.08 -45.91 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 72.53 111.113 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.688 ' O ' HG23 ' A' ' 86' ' ' THR . . . -74.66 -35.91 62.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 51.51 111.075 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.7 -48.57 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.54 110.844 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.428 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -80.58 -30.09 36.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.1 110.914 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.03 -14.27 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 43.42 111.101 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 82' ' ' ALA . 62.3 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 62.23 111.205 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.953 0.406 . . . . 72.53 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -24.46 11.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.11 111.135 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -47.32 -50.19 22.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.32 83.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.176 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.516 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 10.9 m-85 -54.37 -42.09 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.926 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -65.95 -28.1 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 62.24 111.055 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -73.95 -47.61 36.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.14 110.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.54 ' CD1' HD13 ' A' ' 59' ' ' LEU . 71.4 mt -54.9 -21.48 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 63.15 110.97 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -66.26 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 63.34 110.879 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -53.27 -32.63 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.929 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -49.13 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 73.1 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -121.5 31.02 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 64.54 110.877 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.94 130.14 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 70.43 110.872 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.05 -21.22 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 71.25 112.555 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.21 -33.82 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.797 0.332 . . . . 63.3 111.067 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.481 ' CE1' HG21 ' A' ' 62' ' ' VAL . 6.3 p90 -120.56 178.25 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 70.41 110.945 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.43 156.13 37.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 75.02 110.902 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -164.61 167.67 18.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 62.5 110.835 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -176.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.961 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 81.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 71.2 110.891 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.458 HG23 ' HB1' ' A' ' 100' ' ' ALA . 5.8 m -64.02 131.86 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 70.21 111.111 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.8 mmtt -145.44 -79.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.848 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.428 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 177.93 119.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 75.31 111.053 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -147.28 -78.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 54.5 110.851 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 p 178.64 -175.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 62.23 110.912 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 169.26 137.39 2.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.805 -0.712 . . . . 72.45 112.509 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.32 -75.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.793 0.33 . . . . 73.24 110.877 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -84.0 -31.42 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.879 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -51.02 -35.65 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 62.31 110.878 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.83 ' O ' HG22 ' A' ' 127' ' ' VAL . 0.3 OUTLIER -76.28 -42.39 45.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.862 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -51.55 -24.22 5.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 71.41 110.923 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -51.79 -34.7 41.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 73.53 110.924 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 124' ' ' ASN . 28.6 m -56.46 -23.47 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 71.23 111.082 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -56.1 -51.66 67.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.88 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -49.21 37.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.945 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -36.19 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.869 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.71 64.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 55.35 111.164 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -51.87 -32.49 32.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 72.23 110.888 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.2 t -77.63 -32.31 53.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 60.45 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.88 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 64.05 111.081 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.84 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 53.13 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 137.54 38.19 0.14 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 72.12 112.463 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.3 mm . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 72.32 111.164 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.8 0.333 . . . . 72.54 110.843 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -149.73 18.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.859 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.6 p -80.01 179.67 7.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.46 . . . . 73.14 111.151 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -174.4 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -51.77 163.89 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.911 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.49 155.16 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.956 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.738 HG12 HG23 ' A' ' 11' ' ' THR . 62.5 t -90.59 143.12 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 64.02 111.103 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -70.65 78.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.764 ' O ' HG21 ' A' ' 127' ' ' VAL . 39.5 p -130.65 178.19 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 54.52 111.129 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.31 94.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.899 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.06 -158.08 30.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.807 -0.711 . . . . 72.32 112.562 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p 65.63 149.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 71.34 110.899 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -179.47 137.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.966 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.66 122.5 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 45.21 111.126 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 t30 62.28 -82.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 72.13 110.905 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.37 22.03 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 61.51 112.47 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 -178.02 4.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 70.12 110.925 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -133.14 134.59 44.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.969 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.74 165.52 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 52.1 111.14 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.443 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 10.7 p90 -130.47 154.28 47.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 72.11 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.538 ' O ' HG22 ' A' ' 11' ' ' THR . . . -150.42 160.84 43.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 61.54 111.014 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.436 ' HB3' HG22 ' A' ' 11' ' ' THR . 1.4 p90 -159.54 150.61 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.916 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.51 125.84 48.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 72.02 111.079 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.3 m-85 -109.08 140.28 42.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 63.41 110.932 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.4 t -143.54 126.3 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 51.13 111.209 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -123.81 137.55 54.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 73.32 110.864 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.46 13.03 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 55.42 110.869 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.31 15.89 58.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 71.22 112.482 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -138.85 166.0 25.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.745 0.307 . . . . 73.31 110.949 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.63 121.63 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 73.42 111.121 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -107.67 -51.71 2.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 71.52 110.86 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.1 172.45 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.24 110.921 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.98 111.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 71.33 110.842 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -178.6 162.4 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.859 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 22' ' ' TRP . . . -132.19 166.87 20.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 41.42 111.124 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -135.91 145.3 46.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 64.44 110.867 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.3 t -110.2 155.5 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 64.13 111.105 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -111.88 -162.96 16.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 64.33 112.505 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 44.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 51.02 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -108.75 155.66 40.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 75.44 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.4 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.244 . . . . 65.4 112.325 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.48 ' HB1' ' CD1' ' A' ' 95' ' ' PHE . . . -54.02 -27.28 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 70.24 111.095 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.2 -52.68 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 43.13 111.083 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.7 -24.07 46.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 72.13 111.039 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.495 HG21 ' CZ ' ' A' ' 95' ' ' PHE . 11.6 t -70.63 -9.95 58.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 74.51 111.143 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.35 25.49 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 72.25 110.872 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 64.31 -82.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 53.5 110.887 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -153.78 19.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 43.24 110.897 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.46 -40.58 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 63.44 111.127 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.623 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -76.36 -24.21 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 54.11 111.081 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.6 -20.52 78.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 74.13 112.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.15 -36.46 66.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 75.44 110.928 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.541 HD13 ' CD2' ' A' ' 99' ' ' TYR . 5.5 mt -76.45 -31.43 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 63.13 111.043 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.401 ' HA ' ' HG ' ' A' ' 59' ' ' LEU . . . -48.68 -31.49 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 63.43 111.1 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.29 -53.29 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.107 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.65 -38.16 59.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 53.02 111.09 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 102' ' ' LEU . 10.0 mt -52.47 -67.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.911 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -65.85 -34.07 77.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 45.14 110.879 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.04 -41.45 75.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 44.53 111.15 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 58' ' ' ALA . 87.0 t -76.45 -47.24 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.18 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -51.06 -49.68 60.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 63.14 110.924 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.719 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -70.67 -28.5 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 61.31 110.909 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . -52.72 -32.78 44.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 72.1 111.114 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.421 ' HB2' HD12 ' A' ' 109' ' ' ILE . 5.6 t -75.9 -28.58 58.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.869 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.21 -41.1 74.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 60.14 110.948 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.5 mp -81.08 -0.49 40.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 61.14 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.75 23.58 58.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.799 -0.715 . . . . 44.55 112.505 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 68' ' ' LEU . 7.4 m -111.4 -172.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 62.14 111.135 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -138.35 149.77 45.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 53.45 110.942 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.7 pt -100.39 -178.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 41.21 111.124 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 73.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.885 0.374 . . . . 64.4 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.4 -169.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 61.13 111.1 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -80.96 -31.81 34.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.798 -0.715 . . . . 64.43 112.497 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.575 HG21 ' CD2' ' A' ' 112' ' ' PHE . 1.8 mp -57.26 -45.98 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 71.35 111.126 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.463 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . . . -76.91 -8.17 56.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.23 111.12 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -79.29 -56.16 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -19.38 42.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.978 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.557 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -54.3 -36.92 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 42.24 111.171 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 50.15 111.141 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.495 ' CZ ' HG21 ' A' ' 47' ' ' THR . 10.3 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.923 0.392 . . . . 62.3 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.475 HG21 ' H ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.56 -32.42 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 63.53 111.187 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -52.42 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.15 110.848 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.87 73.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 24.41 111.126 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.623 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 20.3 m-85 -53.11 -44.68 67.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.939 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.489 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -63.02 -31.64 72.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.512 . . . . 62.33 111.068 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -74.66 -44.67 49.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 63.53 110.879 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 59' ' ' LEU . 3.7 mt -54.26 -21.29 8.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.883 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -66.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -53.88 -30.65 46.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 75.53 110.865 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.32 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 54.42 110.905 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.43 ' CD1' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -115.57 25.74 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.915 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -76.68 126.71 31.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 74.14 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 159.0 -22.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 55.0 112.521 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.421 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.89 -33.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 71.41 111.079 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -117.48 178.23 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.891 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.2 t -148.92 161.35 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 44.21 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.575 ' CD2' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -176.2 173.02 2.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 73.35 110.884 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.06 164.89 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 73.25 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -51.59 148.65 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 70.24 110.953 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -132.54 137.11 54.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 65.32 111.105 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -113.93 -78.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.941 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 178.57 119.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.042 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.475 ' H ' HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER 178.6 155.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.829 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 p -179.7 -175.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 63.33 110.784 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 103.2 71.69 0.88 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 60.22 112.469 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.82 -167.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.311 . . . . 72.51 110.887 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.59 11.84 30.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.33 110.858 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -49.52 -28.66 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.757 ' O ' HG22 ' A' ' 127' ' ' VAL . 8.0 p30 -75.52 -41.65 54.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.77 -24.52 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 71.52 110.871 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.42 -38.76 59.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 75.33 110.929 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.764 HG21 ' O ' ' A' ' 11' ' ' THR . 22.0 m -56.19 -22.05 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 62.33 111.098 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -50.03 73.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 64.5 110.817 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 11.6 ttp -72.34 -42.21 65.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 44.13 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -54.06 48.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.45 110.867 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.46 -34.14 56.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.1 111.109 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.48 -31.38 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.885 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.7 m -75.23 -35.56 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 65.02 110.784 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.59 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 71.53 111.121 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.0 mt -74.67 -61.32 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.952 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 130.09 39.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 73.24 112.515 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.5 mm . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 70.01 111.168 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.835 0.35 . . . . 73.53 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -162.95 32.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.883 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 p -49.93 155.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 60.4 111.146 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 2.0 mm-40 -51.27 -72.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.949 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -167.98 -67.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.13 110.911 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -92.74 155.62 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 63.21 110.896 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.08 143.31 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 62.45 111.102 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' HB2' ' HB1' ' A' ' 131' ' ' ALA . 69.6 t80 -70.24 79.19 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 73.45 110.928 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.795 HG22 ' HB1' ' A' ' 57' ' ' ALA . 1.4 p -117.07 178.53 4.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 70.03 111.144 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 51.74 30.36 6.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 61.21 110.87 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.72 79.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 61.12 112.447 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.566 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 17.7 p -179.32 104.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.846 0.355 . . . . 65.12 110.839 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -162.39 164.29 27.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.934 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.55 123.05 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 72.21 111.129 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 t30 62.56 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 61.53 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.44 18.4 1.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 75.34 112.458 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -90.78 -175.79 4.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.876 0.369 . . . . 74.21 110.932 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -137.0 134.52 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 72.22 110.957 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.74 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -136.73 156.52 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.15 111.116 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 70.4 p-90 -123.57 130.36 52.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.911 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.663 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -159.98 145.61 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.15 111.181 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 61' ' ' ALA . 4.9 p90 -137.29 175.35 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 64.45 110.951 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.57 146.92 26.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 63.34 111.084 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.78 140.17 51.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.802 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 31' ' ' LYS . 6.0 t -151.48 133.52 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 45.13 111.124 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -128.65 135.3 49.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 71.43 110.897 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.52 12.18 8.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.888 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.75 22.79 35.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 51.54 112.508 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.9 ptpt -149.76 159.26 44.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.808 0.337 . . . . 74.5 110.956 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -54.94 129.15 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.13 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -105.56 -53.15 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.783 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.09 -173.9 3.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 63.35 110.959 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.34 107.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 75.43 110.857 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.47 -177.98 1.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.903 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB1' ' HB2' ' A' ' 23' ' ' ALA . . . -168.95 -175.37 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 73.15 111.111 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.95 151.57 23.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.892 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.74 HG13 ' HB2' ' A' ' 21' ' ' ALA . 22.5 t -118.78 155.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 71.14 111.097 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -114.08 162.5 12.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 31.33 112.456 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 42.39 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 74.45 110.94 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -92.55 154.77 42.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 55.1 110.908 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.479 ' O ' HG22 ' A' ' 47' ' ' THR . 53.9 Cg_endo -69.75 -48.49 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.722 2.281 . . . . 72.2 112.384 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HB1' ' CE2' ' A' ' 95' ' ' PHE . . . -57.67 -24.49 56.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 62.22 111.064 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.87 -48.5 6.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 74.54 111.105 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.48 62.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 61.21 111.11 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 43' ' ' PRO . 3.0 t -58.27 -21.79 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.22 111.107 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.88 21.25 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 65.52 110.823 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 66.24 -77.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 53.24 110.915 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -159.56 22.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 73.45 110.913 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -73.52 -51.05 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 72.34 111.1 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -58.38 -27.41 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 53.55 111.109 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.21 -20.75 78.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 74.33 112.475 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -70.27 -54.92 10.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.852 0.358 . . . . 73.32 110.874 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.5 HG22 HD21 ' A' ' 59' ' ' LEU . 5.6 mt -67.32 -31.31 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 75.12 111.222 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.61 -50.52 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.53 111.118 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.795 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -50.44 -53.35 30.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.091 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -51.94 -32.37 32.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 75.4 111.156 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.5 HD21 HG22 ' A' ' 55' ' ' ILE . 6.2 mt -66.29 -67.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.933 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.431 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 32.6 m-85 -58.33 -26.23 62.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 73.15 110.973 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . . . -66.6 -38.47 87.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 61.22 111.085 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 58' ' ' ALA . 96.6 t -76.28 -36.77 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 45.11 111.162 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -60.24 -45.37 93.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.905 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.753 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.1 tptt -75.94 -30.24 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 72.31 110.962 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.07 -36.82 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 75.43 111.126 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.416 ' HB2' HD12 ' A' ' 109' ' ' ILE . 7.2 t -71.15 -28.79 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.816 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -73.14 -47.69 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.51 110.946 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 64' ' ' LYS . 2.2 mp -73.78 -7.73 53.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.924 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.93 25.53 72.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 72.4 112.449 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 m -110.24 -171.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 74.13 111.187 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -133.27 -179.55 5.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.879 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.5 pt -142.13 -179.38 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 72.33 111.119 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.883 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.895 0.379 . . . . 71.32 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.28 -179.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 74.43 111.08 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.74 -11.0 72.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.757 . . . . 73.24 112.485 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.651 HG21 ' CD2' ' A' ' 112' ' ' PHE . 1.8 mp -61.42 -46.44 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.359 . . . . 72.15 111.126 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.28 -5.77 55.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 63.11 111.143 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -85.56 -55.24 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 72.04 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -21.67 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 74.35 110.905 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -48.29 -31.66 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 44.14 111.087 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 62.13 111.137 -179.87 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.967 0.413 . . . . 64.22 110.892 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -26.49 9.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 62.02 111.076 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -45.37 46.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 74.13 110.929 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.7 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 71.42 111.087 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.513 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 21.1 m-30 -53.94 -38.09 64.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.965 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.4 67.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 61.13 111.075 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -74.18 -45.47 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.44 110.907 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 59' ' ' LEU . 8.4 mt -52.0 -23.38 5.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 63.13 110.901 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.1 ttp -51.97 -66.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 63.22 110.847 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.87 -31.36 59.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 64.34 110.875 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -40.9 41.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.961 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -134.15 32.55 3.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.881 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 127.41 32.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.873 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.21 -22.19 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 65.31 112.457 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -104.0 -31.67 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 51.21 111.103 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -120.67 177.64 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.955 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -154.15 161.13 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.848 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.651 ' CD2' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -176.48 171.21 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 75.5 110.844 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 163.87 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 54.21 110.913 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.582 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -50.75 132.04 26.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.894 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.63 123.9 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.118 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 11.1 mttt -107.75 -78.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 70.01 110.932 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 177.96 153.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 75.55 111.093 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.82 -168.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.783 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 m -92.53 -169.06 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 24.11 110.846 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.23 -170.59 46.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 50.11 112.509 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.89 -177.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 71.03 110.924 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -98.71 -7.48 27.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.941 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -54.13 -29.55 45.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 74.01 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.74 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.7 p30 -71.56 -36.3 70.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 64.44 110.844 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.51 -25.0 50.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 71.51 110.804 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.8 -35.77 57.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 65.43 110.936 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 124' ' ' ASN . 21.8 m -56.09 -21.12 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 72.34 111.105 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -60.6 -49.79 76.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 75.33 110.868 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttm -72.64 -40.66 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 74.2 110.867 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -54.52 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 71.01 110.951 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -53.74 -34.93 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 53.13 111.122 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -52.29 -35.28 49.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 65.5 110.88 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 62.9 m -72.2 -32.25 66.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 60.21 110.869 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . -64.14 -42.8 96.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 74.21 111.069 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER -71.3 -50.38 33.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.924 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.611 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 125.53 85.53 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 74.52 112.47 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.493 HD11 HD22 ' A' ' 135' ' ' LEU . 30.0 mm . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.35 . . . . 75.32 111.173 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.845 0.355 . . . . 73.2 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -159.52 26.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.861 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -59.07 150.42 24.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 73.34 111.126 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 1.6 mm-40 -51.34 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.473 . . . . 72.11 110.939 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -179.15 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.938 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.422 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 1.1 t0 -63.41 134.2 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 71.03 110.866 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 11' ' ' THR . 55.4 t -91.47 141.35 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 71.13 111.081 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -68.69 85.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 73.14 110.936 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.586 ' O ' HG21 ' A' ' 127' ' ' VAL . 8.8 p -128.24 178.4 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 74.14 111.198 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER 52.37 88.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 61.52 110.855 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.34 86.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.757 . . . . 72.3 112.446 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.33 126.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.996 0.427 . . . . 52.32 110.8 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -179.23 156.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.954 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.7 p -137.67 116.05 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 73.14 111.143 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 70.53 -70.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 65.44 110.829 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.02 20.69 0.36 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.695 -0.764 . . . . 64.13 112.447 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.53 -179.17 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 64.13 110.959 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -136.81 134.78 37.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 64.05 110.937 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.731 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -136.75 158.86 43.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.34 111.153 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -124.92 130.11 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 74.3 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.1 136.8 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 55.33 111.096 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.7 p90 -128.25 178.51 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 62.35 110.909 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' H ' HG13 ' A' ' 9' ' ' VAL . . . -105.74 146.29 30.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 61.22 111.135 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.41 140.76 35.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 72.12 110.895 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 31' ' ' LYS . 12.8 t -150.23 135.06 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 55.31 111.156 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -128.15 133.88 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 71.15 110.855 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t0 69.04 10.48 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.852 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.42 20.75 34.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 55.13 112.522 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.6 ptpt -149.61 155.08 39.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 51.4 110.869 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.06 108.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 71.32 111.125 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -68.9 -59.4 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 62.21 110.85 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -142.21 175.18 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.886 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.61 118.88 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 74.01 110.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.74 142.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.833 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.94 -168.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 72.32 111.109 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -156.63 153.95 29.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.877 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.731 HG13 ' HB2' ' A' ' 21' ' ' ALA . 21.5 t -125.07 155.42 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.14 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -126.71 157.79 20.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 52.43 112.45 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.14 31.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.756 0.312 . . . . 61.42 110.857 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -77.8 154.64 80.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.556 0.693 . . . . 73.23 110.866 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' O ' HG22 ' A' ' 47' ' ' THR . 53.6 Cg_endo -69.83 -47.93 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.685 2.256 . . . . 62.53 112.371 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.65 -27.09 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 61.15 111.052 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.34 -45.29 8.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 70.41 111.182 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.97 -36.98 65.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 72.42 111.166 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 43' ' ' PRO . 4.2 t -63.62 -16.46 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.13 111.146 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.52 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.1 mtm -107.7 18.92 20.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 52.3 110.857 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 63.99 -83.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 64.12 110.829 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -148.45 15.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 73.53 110.913 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 48' ' ' MET . 21.4 t -73.19 -30.83 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.225 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB2' ' HE2' ' A' ' 48' ' ' MET . . . -75.87 -52.08 11.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 60.43 111.095 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.32 -20.74 37.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 63.42 112.55 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 12' ' ' ASP . 33.8 mt-10 -72.44 -54.96 7.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.778 0.323 . . . . 65.22 110.847 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mt -74.14 -32.32 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.01 111.095 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HA ' ' HG ' ' A' ' 59' ' ' LEU . . . -51.31 -33.54 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.095 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.63 83.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 72.3 111.061 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -51.64 -31.92 27.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.14 111.155 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.639 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.7 mt -65.24 -60.56 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 64.02 110.969 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -61.49 -34.34 75.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 71.3 110.924 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -62.42 -38.77 90.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.0 111.055 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 58' ' ' ALA . 54.0 t -76.25 -45.71 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 64.02 111.158 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -53.17 -46.86 69.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.924 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.773 ' O ' HD12 ' A' ' 68' ' ' LEU . 8.7 mmtt -77.26 -32.37 55.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.903 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -50.83 -37.61 44.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.123 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB2' HD12 ' A' ' 109' ' ' ILE . 11.1 t -70.78 -28.78 64.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.843 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -74.87 -45.63 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.773 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.6 mp -76.58 -4.72 44.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.965 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.9 19.27 73.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.69 -0.766 . . . . 75.45 112.567 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 m -110.27 157.87 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 71.4 111.133 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.92 -169.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.852 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -145.07 -179.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.2 111.145 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.872 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.972 0.415 . . . . 64.34 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . . . -56.5 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 62.33 111.074 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.94 -20.76 72.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 30.13 112.517 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 mm -58.71 -20.44 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 72.43 111.177 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 86' ' ' THR . . . -70.5 -36.14 73.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.11 111.165 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -71.92 -39.44 69.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.04 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.513 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 2.4 t90 -78.15 -39.11 42.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.889 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.39 -29.66 16.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 70.32 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 82' ' ' ALA . 19.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.13 111.086 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.962 0.41 . . . . 64.25 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -53.2 -26.91 19.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 65.51 111.095 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -52.46 30.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 74.51 110.873 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.4 -42.56 64.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 73.4 111.101 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -52.74 -36.18 57.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.25 110.96 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.602 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -72.05 -28.36 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 75.34 111.117 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -74.89 -42.33 58.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 71.1 110.858 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.639 ' CD1' HD13 ' A' ' 59' ' ' LEU . 56.6 mt -54.71 -22.24 13.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 62.54 110.896 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 ttp -51.31 -66.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 52.33 110.903 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -56.94 -29.52 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 70.05 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -48.19 62.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 74.52 110.934 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.423 ' OH ' HD22 ' A' ' 59' ' ' LEU . 1.6 p90 -127.07 36.31 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.926 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.09 163.57 27.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 71.44 110.904 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.47 -55.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.814 -0.708 . . . . 62.41 112.418 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.417 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -69.28 -31.31 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 72.44 111.122 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 62' ' ' VAL . 9.9 p90 -126.33 177.94 6.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.458 . . . . 71.24 110.946 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.8 148.62 28.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 72.23 110.899 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -159.12 164.53 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 44.22 110.88 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.7 -176.16 6.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 62.5 110.95 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -50.67 161.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 51.11 110.928 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.602 HG23 ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -151.7 126.18 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 72.12 111.171 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.7 OUTLIER -102.88 -78.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 70.35 110.982 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.513 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 175.82 165.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 52.03 111.093 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 54.23 -166.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m 67.72 128.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.811 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.07 99.58 0.82 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.767 -0.73 . . . . 61.51 112.56 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.72 -68.35 0.61 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.74 0.305 . . . . 74.31 110.917 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -102.02 -33.91 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.935 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -51.26 -31.3 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 72.32 110.86 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.826 ' O ' HG22 ' A' ' 127' ' ' VAL . 0.6 OUTLIER -76.57 -42.49 42.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.888 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -24.31 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 55.35 110.854 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -51.66 -30.82 23.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.834 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 124' ' ' ASN . 18.0 m -56.0 -24.2 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 43.34 111.126 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -60.68 -49.6 76.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 72.31 110.82 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -44.82 62.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 74.01 110.86 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.51 80.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.819 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.74 -34.22 64.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 65.04 111.109 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -52.38 -40.0 61.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 70.32 110.999 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.3 m -57.57 -32.31 67.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 63.21 110.841 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . -53.28 -42.08 66.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.15 111.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.95 -60.87 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 72.12 110.952 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 142.39 39.16 0.07 OUTLIER Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.683 -0.77 . . . . 54.34 112.396 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 71.24 111.124 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.784 0.326 . . . . 72.24 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -159.28 29.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.937 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 p -53.74 156.1 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 72.43 111.163 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -53.23 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 64.4 110.857 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -155.27 -76.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.904 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -85.78 155.6 20.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 60.32 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.11 143.14 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.53 111.104 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -69.77 80.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.906 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.605 ' O ' HG21 ' A' ' 127' ' ' VAL . 16.2 p -113.84 179.11 4.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 74.31 111.173 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.19 -169.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 70.4 110.849 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.3 68.67 1.46 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.749 -0.739 . . . . 54.32 112.499 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.403 ' C ' ' HB3' ' A' ' 21' ' ' ALA . 3.3 m -160.94 137.93 8.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.903 0.382 . . . . 74.51 110.875 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -179.23 165.55 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 71.03 110.857 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.5 p -136.16 115.41 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 72.44 111.118 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 70.38 -70.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 61.24 110.934 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.12 23.01 0.21 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.712 -0.756 . . . . 74.21 112.446 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -175.76 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 65.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -110.3 134.65 52.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 65.33 110.907 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.932 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -129.45 173.04 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 75.51 111.028 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -148.8 130.73 15.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.853 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' HB1' ' A' ' 57' ' ' ALA . . . -133.79 169.48 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 64.11 111.113 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.84 168.0 26.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.965 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.3 123.41 50.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 70.14 111.13 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.7 m-85 -109.39 136.81 48.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.9 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.8 t -143.86 129.33 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 53.41 111.135 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -124.6 136.02 53.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 73.42 110.952 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 66.88 12.84 9.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 52.12 110.865 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.89 23.98 33.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 42.1 112.425 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -149.44 159.33 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 63.23 110.916 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.32 122.37 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 21.13 111.129 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -107.64 -47.34 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.836 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -130.24 175.12 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.897 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -175.85 104.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 75.44 110.878 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.88 162.46 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 74.51 110.824 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.59 170.34 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 72.02 111.059 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.43 158.86 44.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 62.13 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.932 HG12 ' HB2' ' A' ' 21' ' ' ALA . 26.9 m -116.89 168.38 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.02 111.139 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.66 -156.22 16.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 64.11 112.425 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.78 33.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 74.21 110.881 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -94.61 154.32 40.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.586 0.708 . . . . 75.03 110.841 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -48.63 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.635 2.223 . . . . 72.1 112.326 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.92 -15.96 63.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 70.22 111.075 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.54 -23.06 15.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 70.41 111.185 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.54 -31.63 22.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.13 111.087 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.8 t -71.8 -18.19 62.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 63.32 111.143 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.624 ' O ' HG23 ' A' ' 51' ' ' VAL . 16.2 mmt -89.35 9.74 25.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.899 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.0 mtm-85 70.01 -72.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.918 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -161.33 21.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 62.3 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.733 ' O ' HD12 ' A' ' 55' ' ' ILE . 33.1 t -74.51 -42.87 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 72.01 111.152 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.65 -26.87 58.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 74.54 111.142 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -70.98 -51.74 17.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 54.44 112.483 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -53.16 -48.01 68.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 74.11 110.878 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 51' ' ' VAL . 5.5 mt -70.41 -31.19 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 65.32 111.162 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 53' ' ' GLY . . . -47.06 -44.73 21.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 51.22 111.079 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 23' ' ' ALA . . . -54.1 -51.2 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 74.41 111.125 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.3 -29.24 22.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 71.04 111.13 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.715 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.8 mt -70.4 -67.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 73.04 110.961 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -59.29 -22.22 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.858 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -67.43 -41.42 84.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.25 111.091 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 58' ' ' ALA . 96.5 t -76.05 -43.28 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.125 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -51.64 -49.69 61.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 74.02 110.85 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.746 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.7 mttt -76.9 -31.13 56.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.856 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.29 -33.38 41.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 53.2 111.142 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.3 t -75.57 -28.59 59.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.887 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -71.25 -41.87 69.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.7 mp -78.46 -2.27 37.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.33 110.927 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.94 59.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 61.24 112.497 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 m -100.78 174.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 72.31 111.151 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 149.29 45.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 64.23 110.974 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 pt -100.06 131.52 47.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 43.34 111.071 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 74.2 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.888 0.375 . . . . 61.2 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.9 164.39 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 64.44 111.088 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.8 -19.16 35.09 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.856 -0.688 . . . . 74.31 112.457 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 4.6 mp -68.89 -46.19 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 74.25 111.097 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.11 -5.97 42.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.12 111.15 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -81.57 -59.27 2.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.833 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.469 ' CZ3' ' HA ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -84.97 -10.81 56.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.9 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . -48.58 -29.19 4.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 71.45 111.091 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 52.01 111.124 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.931 0.396 . . . . 71.25 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -27.04 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 54.24 111.17 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.84 -41.63 45.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.06 -35.19 15.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 65.12 111.02 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -53.86 -51.35 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 72.23 110.926 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -59.64 -30.89 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.12 111.147 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -74.54 -53.01 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 43.22 110.893 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.715 ' CD1' HD13 ' A' ' 59' ' ' LEU . 13.4 mt -58.94 -27.41 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.7 ttp -51.95 -67.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.34 110.798 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.85 -30.03 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.903 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -46.33 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.839 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -130.92 35.74 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.945 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -83.35 128.41 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 74.11 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.76 -21.02 0.38 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 72.32 112.455 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -33.23 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 60.41 111.189 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.54 177.2 4.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.93 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.76 147.95 52.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 71.12 110.881 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.74 140.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 71.13 110.874 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -75.21 169.16 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.85 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.426 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 1.9 tttp -51.53 165.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.876 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.467 HG23 ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -153.13 129.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.139 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.7 mttm -90.65 -81.56 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.501 . . . . 74.03 110.962 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 172.43 176.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.53 111.122 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 64.36 -169.98 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 84' ' ' TRP . 0.7 OUTLIER 68.22 -174.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 71.13 110.892 -179.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.19 118.24 2.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 42.54 112.431 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -138.29 -158.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 54.42 110.908 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.14 -1.31 11.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.923 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' A' ' 126' ' ' TYR . 0.6 OUTLIER -50.07 -30.17 10.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 54.32 110.914 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.761 ' O ' HG22 ' A' ' 127' ' ' VAL . 12.8 p30 -66.91 -39.08 87.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 72.45 110.828 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -24.28 14.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 55.35 110.893 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.45 ' HB3' ' O ' ' A' ' 123' ' ' PHE . 4.0 t80 -51.59 -39.07 57.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.943 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 124' ' ' ASN . 28.8 m -55.38 -24.73 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 75.44 111.187 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.18 -52.8 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 55.51 110.88 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 9.4 ttp -72.19 -40.12 68.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.892 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -38.75 87.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 52.25 110.915 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.17 65.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 61.32 111.031 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -52.37 -40.48 62.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 73.24 110.886 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -32.45 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 64.3 110.833 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.49 -27.82 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.087 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.01 -38.31 11.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.933 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 115.28 36.6 1.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 71.45 112.46 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.5 mm . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 72.33 111.123 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.757 0.313 . . . . 73.01 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -100.72 82.59 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 63.2 110.847 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -128.12 137.47 52.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 65.43 111.089 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -68.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 55.25 110.862 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -162.7 -79.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.876 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.79 158.12 36.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 65.21 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 11' ' ' THR . 78.5 t -105.35 146.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.142 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -69.0 79.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.942 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.767 ' O ' HG21 ' A' ' 127' ' ' VAL . 82.2 p -135.69 157.58 46.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 74.12 111.133 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.15 88.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.93 79.85 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.733 . . . . 74.14 112.529 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.04 135.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 64.5 110.878 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -170.63 154.85 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 74.0 110.955 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.69 122.5 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 74.12 111.138 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t30 62.61 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 71.24 110.883 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.59 19.66 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 50.54 112.469 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -175.83 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 73.03 110.944 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -136.77 134.88 37.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 51.24 110.897 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.652 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -143.27 161.32 38.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 64.33 111.105 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -134.12 130.8 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 72.11 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.89 160.62 36.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 70.4 111.084 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.4 ' HB3' HG22 ' A' ' 11' ' ' THR . 1.0 OUTLIER -161.32 150.72 16.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 73.21 110.971 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.54 122.0 33.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 65.23 111.095 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 68' ' ' LEU . 2.6 m-30 -109.87 113.65 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 63.25 110.928 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.7 t -126.89 133.02 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 52.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -132.18 138.69 48.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.1 110.959 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 67.03 12.57 9.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 64.52 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.14 22.59 37.64 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.728 -0.749 . . . . 74.12 112.524 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -149.56 157.64 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 73.23 110.885 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.13 116.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.176 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -93.79 -42.2 9.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 70.12 110.828 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -131.52 168.83 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 63.52 110.943 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.64 90.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 74.21 110.833 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.18 108.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.03 -178.43 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.05 111.056 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -154.47 130.84 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.5 110.831 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 21' ' ' ALA . 19.5 t -102.08 155.25 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 64.23 111.134 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -118.02 170.33 13.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 70.42 112.438 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.98 28.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 72.53 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -74.41 156.0 87.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 65.41 110.864 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.65 -48.58 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 71.23 112.428 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.411 ' C ' HG22 ' A' ' 47' ' ' THR . . . -62.07 -23.56 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 70.24 111.092 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.22 -59.33 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.03 -34.05 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.147 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.425 HG23 ' HG2' ' A' ' 48' ' ' MET . 14.7 t -62.63 -32.23 73.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.22 111.125 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.425 ' HG2' HG23 ' A' ' 47' ' ' THR . 78.9 mmm -95.15 19.57 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.897 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 63.1 -167.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 63.51 110.938 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -70.46 -8.78 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.85 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.748 ' O ' HD12 ' A' ' 55' ' ' ILE . 84.2 t -51.91 -42.38 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 65.13 111.116 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.69 -21.31 57.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 40.22 111.14 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.507 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -75.4 -51.61 7.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 44.34 112.45 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.4 -49.98 63.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 64.42 110.973 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.748 HD12 ' O ' ' A' ' 51' ' ' VAL . 3.5 mt -65.23 -31.08 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 73.14 111.18 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.633 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -47.56 -46.26 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 70.2 111.148 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.57 -53.11 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 72.32 111.128 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.44 -29.36 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 64.22 111.066 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.3 mt -71.42 -67.57 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 52.42 110.983 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.633 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 32.9 m-85 -58.23 -23.33 55.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 64.25 110.886 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -63.89 -40.74 97.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 71.41 111.05 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 58' ' ' ALA . 58.5 t -76.35 -43.42 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 72.42 111.14 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -51.68 -50.04 61.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.905 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.759 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.48 -32.57 58.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.949 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -50.9 -41.83 58.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 61.14 111.062 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.8 t -65.37 -28.5 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 50.22 110.858 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -75.88 -44.89 38.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 62.01 110.967 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.4 mp -78.43 -6.64 55.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 65.11 110.935 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.56 33.06 40.19 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.78 -0.724 . . . . 64.44 112.436 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 68' ' ' LEU . 16.2 m -107.62 -32.61 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 74.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.52 -175.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.888 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.634 HG22 HG21 ' A' ' 9' ' ' VAL . 4.3 pt -133.27 134.23 57.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 61.3 111.195 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 54.42 110.884 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.92 0.39 . . . . 71.04 110.95 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.6 -173.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 63.33 111.181 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.99 -46.79 68.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 74.13 112.475 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.39 -41.2 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 61.21 111.123 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.27 -5.95 47.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 52.54 111.133 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -57.12 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.466 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.55 -17.21 45.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 71.45 110.948 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.31 -23.1 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 72.22 111.143 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 64.31 111.103 -179.879 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.875 0.369 . . . . 70.14 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -27.64 26.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.128 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -47.28 48.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 64.51 110.879 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.74 -36.28 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 72.13 111.12 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' HD1' HD21 ' A' ' 59' ' ' LEU . 91.8 t80 -53.76 -54.37 39.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.916 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -55.93 -30.88 62.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 72.52 111.137 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -75.53 -51.31 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 70.1 110.944 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 59' ' ' LEU . 12.3 mt -62.31 -17.68 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 65.2 110.903 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -66.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.899 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -54.49 -29.22 49.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 62.24 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -49.03 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.93 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -128.46 35.7 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.901 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -84.3 128.69 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.831 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.35 -20.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 63.13 112.534 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -33.62 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 55.04 111.167 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.406 ' CE1' HG11 ' A' ' 62' ' ' VAL . 26.0 p90 -109.68 177.37 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.953 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.61 150.67 51.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 73.44 110.864 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -175.87 147.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 63.13 110.806 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.6 -170.58 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.883 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -71.83 130.76 41.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.92 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -124.72 126.38 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 71.15 111.147 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -100.31 -82.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.466 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -179.97 115.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 63.23 111.1 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -179.36 142.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 62.54 110.88 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.62 -168.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 54.25 110.912 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -161.24 -144.22 3.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 74.5 112.525 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.8 -76.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 73.44 110.951 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.09 11.19 25.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.93 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -48.85 -45.55 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 72.02 110.826 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.77 ' O ' HG22 ' A' ' 127' ' ' VAL . 5.3 p30 -76.86 -23.85 52.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.843 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -71.67 -22.38 61.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 54.21 110.867 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.15 -45.22 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.945 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 124' ' ' ASN . 29.3 m -56.03 -23.13 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 72.24 111.166 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.45 -47.12 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.41 110.84 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 20.2 ttp -72.85 -37.01 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.895 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -56.1 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.873 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.39 -33.49 53.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.24 111.125 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -51.62 -32.95 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 55.13 110.883 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.1 m -67.26 -37.09 82.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.815 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -53.18 -41.27 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 62.05 111.107 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.73 -44.4 42.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.904 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.82 42.1 1.48 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.721 . . . . 73.43 112.535 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 62.14 111.122 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.493 ' OD1' HG12 ' A' ' 70' ' ' VAL . 3.8 m-20 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.905 0.384 . . . . 74.11 110.802 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -81.83 111.01 17.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.092 -0.503 . . . . 75.02 110.825 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.422 HG22 ' OH ' ' A' ' 7' ' ' TYR . 23.2 p -152.57 -83.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.22 111.175 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.27 63.36 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 73.22 110.92 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.422 ' OH ' HG22 ' A' ' 5' ' ' THR . 4.5 p90 -178.7 152.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 73.21 110.938 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.51 154.22 21.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 64.44 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.692 HG12 HG23 ' A' ' 11' ' ' THR . 81.8 t -90.05 145.32 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 45.1 111.103 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.32 78.84 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 74.2 110.937 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.692 HG23 HG12 ' A' ' 9' ' ' VAL . 80.5 p -138.23 172.95 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 63.5 111.148 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.81 100.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 74.04 110.822 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.68 91.0 0.47 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 64.22 112.437 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.27 133.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 75.2 110.875 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -179.19 142.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.964 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.67 122.92 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 52.14 111.181 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t30 62.56 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.6 18.17 1.0 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 50.31 112.515 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.55 175.23 5.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.84 0.352 . . . . 63.14 110.865 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -134.81 134.62 41.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.12 110.847 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.46 165.66 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 65.31 111.067 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.0 p90 -144.43 130.7 19.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.913 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 11' ' ' THR . . . -127.8 169.21 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.2 111.145 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.81 158.15 25.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 61.41 110.879 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.56 127.99 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 41.32 111.093 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.4 m-85 -109.11 139.9 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 64.45 110.868 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 t -142.27 132.26 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 72.04 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -128.94 133.58 47.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.53 110.939 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.32 12.52 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 54.45 110.805 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.81 26.33 24.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.701 -0.761 . . . . 45.44 112.442 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -149.75 164.82 34.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 63.12 110.891 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.16 122.54 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 65.14 111.151 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -107.55 -45.96 3.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.869 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -130.24 179.74 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.01 110.945 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -179.3 100.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 55.34 110.879 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.69 177.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 62.52 110.826 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -148.81 -170.19 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 65.44 111.043 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -155.1 140.73 17.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.807 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.1 t -102.2 155.48 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 51.43 111.137 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -119.58 -170.09 14.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 72.31 112.5 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.86 31.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 74.42 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.31 155.52 66.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.633 0.73 . . . . 74.41 110.897 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.652 2.234 . . . . 63.15 112.371 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.59 -24.9 65.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.24 111.11 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.98 -34.59 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 64.21 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.6 -25.69 57.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.086 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -74.17 -7.49 52.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.113 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.87 22.55 13.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 74.44 110.92 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 64.16 -81.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.834 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -154.49 20.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.13 110.84 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.752 ' O ' HD12 ' A' ' 55' ' ' ILE . 59.6 t -73.01 -38.94 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 61.43 111.116 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -76.16 -27.25 56.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 62.41 111.092 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.94 -49.73 15.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 72.31 112.484 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.28 -48.62 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 72.43 110.904 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 51' ' ' VAL . 3.5 mt -74.55 -31.34 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.5 111.075 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 52' ' ' ALA . . . -48.6 -31.87 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 63.41 111.132 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' A' ' 11' ' ' THR . . . -56.69 -53.37 58.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 53.44 111.108 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -39.67 61.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.149 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 102' ' ' LEU . 10.5 mt -52.31 -66.99 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.916 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -66.07 -23.33 66.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.465 . . . . 63.34 110.94 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.45 89.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 64.12 111.128 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 110' ' ' TYR . 96.9 t -76.27 -45.49 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 72.24 111.094 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -51.67 -48.07 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 63.24 110.891 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.623 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -73.28 -30.28 63.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 74.41 110.899 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.58 -34.02 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 43.23 111.114 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.418 ' HB2' HD12 ' A' ' 109' ' ' ILE . 3.7 t -73.14 -30.16 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 45.32 110.806 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.29 -37.9 78.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.888 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -91.98 -10.84 37.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 70.54 110.933 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 55.28 32.63 57.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 63.24 112.463 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.493 HG12 ' OD1' ' A' ' 3' ' ' ASP . 16.9 m -105.84 -29.93 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.942 0.401 . . . . 63.41 111.178 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.6 -169.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 63.41 110.859 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.5 pt -139.69 173.11 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.25 111.147 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.31 110.914 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.926 0.393 . . . . 65.53 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 51.93 -168.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 52.33 111.094 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.32 -25.61 73.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.805 -0.712 . . . . 53.54 112.506 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.96 -46.12 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 72.51 111.178 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.29 -8.75 52.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 61.35 111.113 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.31 -57.1 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.872 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -16.57 47.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.43 110.956 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -61.45 -16.39 46.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.04 111.063 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.52 111.079 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.876 0.369 . . . . 61.24 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -42.21 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.12 111.168 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -47.32 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 43.23 110.931 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.27 -33.51 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 73.55 111.047 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.517 ' CD2' HG21 ' A' ' 115' ' ' VAL . 28.4 t80 -53.43 -54.62 34.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 72.22 110.972 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.651 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -55.18 -33.05 62.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 75.01 111.113 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -74.55 -47.01 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.861 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 59' ' ' LEU . 5.7 mt -61.62 -16.89 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 63.22 110.909 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.0 ttp -57.36 -66.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.05 110.862 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -52.09 -31.83 32.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 54.15 110.816 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -48.82 67.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.963 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -116.79 28.89 8.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 62.01 110.913 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -83.19 125.22 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.864 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.45 -20.98 0.4 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.74 . . . . 75.34 112.524 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -108.21 -34.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 62.43 111.076 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.455 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.7 p90 -122.21 178.31 4.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.931 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.53 148.27 32.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 51.53 110.843 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.3 171.92 19.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.958 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.73 -170.0 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.866 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.606 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 5.4 tttp -94.49 117.08 29.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 74.24 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.651 HG23 ' HB2' ' A' ' 100' ' ' ALA . 2.1 m -104.32 139.76 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 71.11 111.126 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -105.5 -78.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 62.44 110.891 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 176.97 101.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 73.34 111.056 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -176.66 170.67 2.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.899 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 -169.41 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 65.24 110.817 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.04 -143.95 3.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 73.01 112.49 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -77.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 74.34 110.881 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -110.39 11.73 23.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.928 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -48.16 -44.89 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.873 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.739 ' O ' HG22 ' A' ' 127' ' ' VAL . 4.8 p-10 -74.63 -40.16 61.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 74.55 110.893 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.41 -24.77 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.899 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.7 -38.07 60.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 64.33 110.886 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 124' ' ' ASN . 20.9 m -56.04 -21.56 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 60.14 111.053 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.83 -48.99 74.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 55.02 110.919 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 6.7 ttp -68.87 -44.81 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 55.12 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -53.29 57.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 65.35 110.904 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.34 -33.63 54.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 33.14 111.071 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -52.26 -32.15 35.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.446 . . . . 63.32 110.845 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.7 p -75.6 -31.49 59.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 51.24 110.864 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.405 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . . . -55.09 -42.87 73.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 61.13 111.064 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.6 OUTLIER -68.87 -48.97 62.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 74.35 110.895 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.61 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 124.06 30.14 1.05 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.768 -0.73 . . . . 43.45 112.48 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.459 ' CD1' HD22 ' A' ' 135' ' ' LEU . 27.8 mm . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 54.12 111.184 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.8 0.333 . . . . 75.43 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -157.53 23.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 75.51 110.911 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -88.59 148.36 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 52.21 111.125 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -145.11 21.89 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 62.14 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.787 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 30.7 m-85 -121.47 157.11 31.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.35 110.905 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.734 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 10.7 t70 -50.63 151.05 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 70.05 110.863 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.729 HG12 HG23 ' A' ' 11' ' ' THR . 57.5 t -91.23 142.49 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 72.1 111.116 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -69.71 80.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.974 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.767 ' O ' HG21 ' A' ' 127' ' ' VAL . 41.2 p -131.46 177.79 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.132 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.54 106.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 65.34 110.847 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.87 -150.6 19.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 72.23 112.495 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p 64.36 156.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 72.14 110.868 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -176.69 166.27 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.945 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -141.87 113.46 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 42.23 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 69.55 -72.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 71.5 110.886 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.44 25.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.728 . . . . 64.04 112.484 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.67 -175.79 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 70.23 110.908 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.485 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 7.8 p90 -105.37 135.72 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 65.21 110.911 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 1.012 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -137.53 164.17 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 61.22 111.092 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -144.26 130.39 19.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.927 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.851 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -132.01 175.11 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 74.24 111.136 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.97 170.94 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.845 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.91 125.42 54.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 45.31 111.095 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -110.97 140.06 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.863 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 31' ' ' LYS . 4.8 t -144.89 128.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.31 111.126 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -124.91 134.53 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.52 110.899 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t0 67.1 12.5 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 61.55 110.889 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.41 26.39 25.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 42.14 112.541 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -149.64 162.78 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 75.31 110.861 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.45 119.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 71.02 111.074 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -107.68 -50.61 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 71.25 110.858 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -130.22 166.43 20.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.896 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -179.34 108.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.878 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.61 135.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.854 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.851 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -100.37 176.66 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 55.12 111.174 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -159.37 145.18 16.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 73.31 110.842 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.012 HG12 ' HB2' ' A' ' 21' ' ' ALA . 13.9 m -110.17 175.03 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 63.54 111.141 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.59 -157.01 9.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 70.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.6 52.03 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.767 0.317 . . . . 70.32 110.959 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -113.14 157.14 41.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 62.05 110.877 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -48.35 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.745 2.297 . . . . 71.3 112.288 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.49 67.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 74.21 111.101 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB1' ' CE2' ' A' ' 20' ' ' TYR . . . -99.37 12.93 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.15 111.106 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.33 19.17 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 62.04 111.133 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -126.48 11.89 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 63.32 111.14 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.528 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -125.43 22.89 7.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.845 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 72.12 -73.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 75.25 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -172.34 23.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.845 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.732 ' O ' HD12 ' A' ' 55' ' ' ILE . 49.0 t -76.09 -33.63 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.191 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB3' ' CE ' ' A' ' 48' ' ' MET . . . -77.27 -53.42 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 71.35 111.088 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.18 -26.26 42.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 14.13 112.476 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -69.39 -54.75 12.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 75.31 110.899 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 51' ' ' VAL . 2.9 mt -69.67 -30.56 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 75.44 111.133 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.558 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.47 -44.64 17.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 73.02 111.072 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.36 -50.25 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 70.04 111.105 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.33 -32.89 40.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 51.42 111.115 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.604 HD13 HD13 ' A' ' 102' ' ' LEU . 5.4 mt -67.9 -67.13 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.905 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.558 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 34.3 m-85 -56.93 -24.36 51.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 63.43 110.872 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.81 -40.54 88.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 61.13 111.051 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.558 HG21 ' CE1' ' A' ' 110' ' ' TYR . 96.6 t -76.26 -40.69 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 73.33 111.085 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -51.42 -48.0 62.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 62.43 110.867 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 68' ' ' LEU . 13.3 mttt -72.96 -29.26 62.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.906 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . -52.18 -32.53 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.23 111.095 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.4 t -75.94 -28.0 57.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.31 110.908 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -40.54 63.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 73.41 110.883 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.6 mp -81.93 -6.81 59.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 54.34 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.39 20.49 69.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 64.24 112.477 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 m -110.9 -171.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 75.2 111.105 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.08 168.17 20.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.875 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.5 pt -120.48 179.65 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 64.21 111.125 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 72.54 110.879 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.937 0.399 . . . . 75.12 110.952 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . . . -60.45 -168.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 71.52 111.084 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.42 -1.8 68.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 34.51 112.512 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.09 -38.33 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 62.4 111.117 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.34 -5.57 45.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.5 111.102 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -57.51 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.2 110.853 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.467 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.58 -13.79 55.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.918 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -49.14 -26.53 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 41.23 111.091 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.32 111.136 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.951 0.405 . . . . 73.1 110.848 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.686 HG21 ' CD2' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.14 -27.96 23.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.162 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -47.12 49.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.942 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.58 -33.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 73.44 111.102 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -53.47 -54.52 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.97 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -55.21 -29.51 58.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 40.0 111.097 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -74.54 -52.23 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.882 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.604 HD13 HD13 ' A' ' 59' ' ' LEU . 13.4 mt -59.9 -33.22 71.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 72.21 110.87 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.75 -67.36 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 64.41 110.844 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -53.47 -31.16 44.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.901 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -41.19 62.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.968 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.1 39.21 2.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.935 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.75 7.57 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 64.34 110.869 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.61 -6.01 61.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 71.11 112.507 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -40.66 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.384 . . . . 74.43 111.13 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.558 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.4 p90 -121.5 177.71 5.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.885 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.98 154.04 39.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 72.21 110.835 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -163.43 138.04 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 72.31 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.71 159.7 0.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 70.55 110.89 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.5 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 7.8 tttp -51.67 132.71 31.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.4 110.966 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -123.7 92.64 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 73.15 111.149 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -76.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.92 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.467 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 179.0 164.36 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 51.01 111.092 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.686 ' CD2' HG21 ' A' ' 96' ' ' THR . 0.6 OUTLIER -163.29 -169.25 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.893 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.7 m -110.36 -74.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 61.12 110.883 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -166.61 165.36 38.33 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.702 -0.761 . . . . 55.11 112.518 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -179.7 -179.4 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 74.35 110.935 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -101.91 2.36 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.05 110.851 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -55.61 -29.74 59.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.894 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.753 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.5 p-10 -71.25 -38.41 71.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.34 110.881 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -25.93 18.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 43.35 110.802 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.66 -34.33 51.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 75.13 110.91 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.767 HG21 ' O ' ' A' ' 11' ' ' THR . 29.3 m -55.23 -23.89 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 72.21 111.102 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -60.95 -50.5 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 63.42 110.872 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.1 ttp -69.9 -49.56 50.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 61.02 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -50.77 68.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 75.51 110.892 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.35 -38.37 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.095 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.69 ' HG2' HD12 ' A' ' 137' ' ' ILE . 0.2 OUTLIER -52.53 -32.4 40.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.895 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.7 m -74.32 -36.26 63.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 54.11 110.876 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -76.22 -33.67 59.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.21 111.131 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 132' ' ' LYS . 4.1 mt -69.55 -24.86 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 65.44 110.851 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 99.6 20.71 16.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 52.32 112.474 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.69 HD12 ' HG2' ' A' ' 132' ' ' LYS . 11.5 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 71.52 111.119 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.47 ' OD1' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.807 0.337 . . . . 71.22 110.851 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -138.89 27.69 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 61.44 110.848 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.47 HG23 ' OD1' ' A' ' 3' ' ' ASP . 71.6 p -79.62 168.75 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 61.41 111.135 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 178.46 35.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.403 ' HB3' ' HD3' ' A' ' 130' ' ' LYS . 22.7 m-85 -135.08 -108.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 74.2 110.905 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -152.13 156.66 40.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 71.13 110.845 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.646 HG12 HG23 ' A' ' 11' ' ' THR . 60.2 t -91.41 142.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.24 111.132 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -71.1 78.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 65.34 110.958 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.76 ' O ' HG21 ' A' ' 127' ' ' VAL . 24.3 p -136.16 158.45 44.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 72.54 111.163 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 65.26 76.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 71.44 110.847 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.76 88.23 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.752 -0.737 . . . . 61.24 112.458 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.58 158.69 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 73.33 110.887 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -179.4 156.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 71.24 110.844 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.0 p -141.73 112.24 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 72.22 111.14 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 69.69 -71.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.25 110.858 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.32 25.15 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 74.53 112.516 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.57 -175.61 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.797 0.332 . . . . 75.33 110.891 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 45' ' ' ALA . 28.1 p90 -110.85 134.44 52.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.42 110.891 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.8 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -126.31 172.41 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 73.24 111.076 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -150.35 130.58 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.907 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.69 163.17 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 70.32 111.095 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -162.04 145.19 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 63.11 110.9 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.18 107.19 19.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 50.55 111.052 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -92.53 137.8 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.929 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 32' ' ' VAL . 17.7 t -148.98 109.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.01 111.172 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.12 142.66 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 73.32 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t0 70.72 9.73 6.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 73.14 110.907 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.36 22.19 45.3 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.676 -0.773 . . . . 72.5 112.496 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -149.5 157.46 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 73.3 110.912 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.428 ' HA ' HG22 ' A' ' 27' ' ' VAL . 97.7 t -58.24 129.9 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 74.03 111.119 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -107.85 -59.48 1.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 63.53 110.884 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.8 166.65 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.862 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.14 99.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 73.34 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.48 -75.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 61.15 110.895 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 64.26 109.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 64.45 111.127 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -146.99 -174.64 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.865 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 ' HB2' ' A' ' 21' ' ' ALA . 28.1 m -116.17 174.4 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 65.41 111.157 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.95 169.68 19.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.662 -0.78 . . . . 53.03 112.438 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -132.61 5.11 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 73.53 110.916 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -61.5 150.56 80.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.729 . . . . 55.22 110.868 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -48.84 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.6 2.2 . . . . 74.42 112.309 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.38 16.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 73.43 111.057 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 20' ' ' TYR . . . -99.31 -20.2 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.08 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.94 16.0 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.23 111.149 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -123.35 -0.87 8.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.24 111.148 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.24 26.6 8.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.925 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 64.01 -83.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.766 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -151.92 17.79 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.825 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.68 -37.72 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 65.12 111.111 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.59 -48.63 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.161 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.99 -40.86 75.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.801 -0.714 . . . . 71.24 112.454 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -54.98 -54.09 47.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 73.31 110.869 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mt -70.42 -31.7 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 60.22 111.134 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.38 -31.83 6.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 60.51 111.149 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -57.89 -53.75 54.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 43.21 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.65 -43.51 65.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 73.14 111.069 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.682 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.2 mt -52.53 -66.96 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.894 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.4 -33.53 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.974 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.42 -38.06 76.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 73.31 111.091 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.7 t -77.08 -45.15 30.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 63.04 111.178 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -51.7 -50.29 60.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 52.34 110.89 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.7 mptt -70.89 -27.93 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 72.2 110.924 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . -52.93 -31.32 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.12 111.065 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.407 ' HB2' HD12 ' A' ' 109' ' ' ILE . 3.4 t -76.3 -30.21 57.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 64.51 110.863 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -63.59 -29.34 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 71.24 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -102.57 -10.53 19.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.872 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.0 21.98 78.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 64.24 112.518 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 m -113.56 160.82 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 60.23 111.165 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 -169.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 63.15 110.849 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 pt -137.64 159.78 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 64.04 111.103 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.53 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.97 0.414 . . . . 74.02 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.0 162.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 62.12 111.073 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.3 -14.18 59.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.696 -0.764 . . . . 73.32 112.507 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.539 HG23 ' HZ3' ' A' ' 84' ' ' TRP . 43.1 mm -68.99 -46.22 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 52.43 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.52 -10.51 59.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 75.03 111.14 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -55.53 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.867 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.539 ' HZ3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -80.21 -17.38 52.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 71.43 110.888 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.72 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -54.42 -24.29 19.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.34 111.089 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 64.23 111.144 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.5 t80 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.907 0.384 . . . . 74.54 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.77 -45.58 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 72.14 111.157 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -43.16 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.58 -31.71 11.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 71.3 111.102 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.49 ' HD1' HD21 ' A' ' 59' ' ' LEU . 92.5 t80 -53.39 -54.78 31.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.911 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.544 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -55.26 -31.58 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 65.3 111.162 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -75.51 -45.6 37.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.953 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.682 ' CD1' HD13 ' A' ' 59' ' ' LEU . 6.3 mt -65.87 -23.74 66.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 62.14 110.953 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.6 ttp -52.84 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.926 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -53.12 -30.91 39.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 62.24 110.845 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -43.06 49.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 65.41 110.975 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.02 40.6 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 63.44 110.958 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.81 6.28 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 74.12 110.875 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.28 -6.51 65.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 64.51 112.536 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.407 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -116.1 -40.42 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 73.34 111.131 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.424 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.7 p90 -121.94 177.48 5.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.955 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.4 155.67 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 74.42 110.926 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.86 124.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.818 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.54 -178.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 73.35 110.874 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.72 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -49.12 135.48 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.91 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 100' ' ' ALA . 0.1 OUTLIER -120.94 -58.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 64.03 111.113 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.4 ' H ' ' HB2' ' A' ' 100' ' ' ALA . 6.9 mmmt 54.59 -168.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.891 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -109.54 164.94 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 64.3 111.086 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.29 -67.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 74.14 110.832 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.8 p 179.34 -175.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.834 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.82 151.97 19.97 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.658 -0.782 . . . . 61.1 112.44 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -149.14 -166.84 2.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 63.34 110.913 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -6.72 48.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.935 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -50.52 -30.53 13.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 73.42 110.903 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.756 ' O ' HG22 ' A' ' 127' ' ' VAL . 22.8 p-10 -74.01 -38.79 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.04 110.915 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.82 -23.65 19.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.848 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.27 -37.75 56.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 52.22 110.972 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.76 HG21 ' O ' ' A' ' 11' ' ' THR . 27.0 m -57.93 -21.36 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 70.15 111.088 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -62.57 -53.36 55.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 64.14 110.931 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 10.7 ttp -72.43 -38.05 68.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.91 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.403 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -63.91 -53.32 52.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 71.33 110.841 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.51 -33.5 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 73.32 111.171 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 135' ' ' LEU . 1.1 tttp -52.07 -29.49 21.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.7 m -77.74 -34.61 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.819 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.95 -29.93 70.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 41.13 111.117 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 132' ' ' LYS . 1.8 mt -80.0 -43.98 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.932 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.88 38.36 2.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.806 -0.711 . . . . 63.41 112.457 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 28.6 mm . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 65.45 111.141 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.746 0.308 . . . . 73.12 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -137.46 28.85 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -54.87 148.84 12.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 71.13 111.118 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.67 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 38.4 tp10 -64.11 -75.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.874 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -148.28 -78.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.897 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.426 ' OD2' HG12 ' A' ' 127' ' ' VAL . 26.2 t70 -93.15 159.79 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 64.1 110.91 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.406 HG12 HG23 ' A' ' 11' ' ' THR . 75.9 t -92.75 144.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 64.41 111.11 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' HB2' ' HB1' ' A' ' 131' ' ' ALA . 20.6 t80 -70.71 78.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.984 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.723 ' O ' HG21 ' A' ' 127' ' ' VAL . 56.3 p -117.7 178.49 4.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.099 -0.501 . . . . 51.13 111.214 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.08 107.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 75.34 110.83 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.83 -169.05 29.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 45.31 112.508 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.78 153.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 73.32 110.897 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -179.77 164.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 70.3 110.889 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.5 p -141.25 114.73 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 71.13 111.175 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 70.17 -71.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.32 26.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 64.24 112.459 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -178.02 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.351 . . . . 63.02 110.934 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -106.37 134.25 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.904 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.795 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -125.98 164.92 19.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 74.42 111.071 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -143.56 130.44 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.865 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.404 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -141.98 163.69 32.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 71.33 111.112 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.652 ' HB3' HG22 ' A' ' 11' ' ' THR . 2.3 p90 -162.34 138.42 7.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 75.13 110.939 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.91 107.06 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 61.34 111.091 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -93.33 135.77 34.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 72.22 110.833 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 t -151.08 108.59 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.25 111.157 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 142.57 42.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 61.54 110.922 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t0 70.86 9.46 6.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 70.23 110.848 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.09 24.89 39.14 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.801 -0.714 . . . . 64.3 112.524 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -149.94 158.61 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 72.43 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.6 128.64 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 61.4 111.179 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -107.57 -42.13 4.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.846 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -177.95 152.94 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.92 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.87 113.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 70.43 110.846 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -128.47 -38.82 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 74.53 110.862 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 23' ' ' ALA . . . 65.52 151.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 64.45 111.069 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -154.39 176.92 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 54.42 110.838 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.795 HG12 ' HB2' ' A' ' 21' ' ' ALA . 26.9 m -117.49 174.39 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 35.21 111.123 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.11 -158.0 19.68 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 51.41 112.501 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.09 55.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 71.3 110.897 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 3.5 m120 -117.25 153.99 50.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 64.35 110.921 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -48.68 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 55.04 112.334 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 47' ' ' THR . . . -70.0 -32.17 70.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 64.32 111.069 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -78.06 -29.86 49.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 54.32 111.098 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.8 -36.78 36.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 72.43 111.083 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 44' ' ' ALA . 8.9 t -71.5 -14.12 62.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 73.14 111.096 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -90.42 11.73 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 62.11 110.915 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 70.19 -72.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 55.34 110.835 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -163.99 23.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.864 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.62 ' O ' HD12 ' A' ' 55' ' ' ILE . 61.0 t -74.44 -44.3 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.024 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.72 -20.32 58.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 42.55 111.115 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -75.43 -51.81 7.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 70.54 112.498 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -53.4 -48.71 68.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 63.13 110.946 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 51' ' ' VAL . 5.5 mt -67.99 -31.93 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 65.21 111.18 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 53' ' ' GLY . . . -50.21 -37.91 37.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 65.43 111.108 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.36 -49.74 76.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 45.31 111.112 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.06 -29.61 22.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.24 111.147 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.759 HD13 HD13 ' A' ' 102' ' ' LEU . 5.7 mt -68.09 -67.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.958 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -59.44 -23.58 62.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.898 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -64.1 -40.08 95.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.075 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 110' ' ' TYR . 84.7 t -76.42 -43.04 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 64.35 111.075 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -51.24 -49.97 60.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.601 ' O ' HD12 ' A' ' 68' ' ' LEU . 37.5 mttm -77.53 -30.31 52.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.904 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.99 -31.58 41.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 54.44 111.134 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t -75.95 -28.15 57.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 64.43 110.882 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -69.82 -41.04 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 52.54 111.0 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -86.18 -12.51 49.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 72.0 110.935 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.28 23.93 62.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.69 -0.767 . . . . 73.31 112.478 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 m -96.33 -32.54 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 65.4 111.135 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 64.0 -170.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 72.14 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -140.5 -178.55 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 62.22 111.163 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.821 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 14.7 p90 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.915 0.388 . . . . 65.24 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.66 21.8 16.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 42.34 111.133 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.27 -50.94 0.85 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.714 -0.755 . . . . 65.41 112.449 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.18 -31.29 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 74.32 111.061 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 78' ' ' TYR . . . -75.47 -11.38 60.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 62.11 111.172 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.26 -56.92 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.825 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.469 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.45 -13.29 56.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 70.34 110.973 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.83 -23.45 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 61.31 111.11 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.129 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.917 0.389 . . . . 74.01 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -40.96 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.15 111.171 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -40.1 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.64 -31.05 10.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.2 111.114 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.55 ' CE2' HG21 ' A' ' 115' ' ' VAL . 83.6 t80 -53.84 -54.03 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.879 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.9 -30.06 63.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.1 111.102 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -74.18 -53.19 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.452 . . . . 75.4 110.856 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.759 HD13 HD13 ' A' ' 59' ' ' LEU . 12.3 mt -59.04 -27.11 65.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 62.33 110.94 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 ttp -54.38 -66.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 61.14 110.821 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -51.85 -30.85 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 65.34 110.883 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -46.65 64.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.33 110.901 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -129.28 36.79 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.914 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -77.6 160.67 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 73.51 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.43 -50.33 0.88 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.748 -0.739 . . . . 45.34 112.467 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -31.68 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 70.35 111.159 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 62' ' ' VAL . 3.2 p90 -127.55 178.15 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 71.22 110.93 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.16 155.66 27.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 65.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -148.03 168.66 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 72.24 110.847 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -177.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.883 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -78.25 60.61 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.52 110.968 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 99' ' ' TYR . 2.4 m -51.47 153.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.453 . . . . 64.4 111.117 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 33.3 mmtt -133.6 -78.42 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 64.21 110.854 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.469 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . 177.8 96.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 34.31 111.086 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -177.16 162.99 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 64.22 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 t -109.68 -169.23 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.837 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -152.16 -141.86 3.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 75.01 112.425 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.75 -84.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 73.3 110.928 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.11 11.93 23.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 71.41 110.897 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -48.15 -39.6 21.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.866 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.743 ' O ' HG22 ' A' ' 127' ' ' VAL . 1.4 p-10 -77.68 -34.5 52.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 75.51 110.87 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.79 -23.87 60.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.866 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.74 -39.39 62.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 63.12 110.889 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 124' ' ' ASN . 17.5 m -56.36 -21.92 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 65.11 111.123 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.04 -51.72 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.887 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 9.3 ttp -72.42 -41.62 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.52 110.889 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -53.43 57.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 60.43 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -53.43 -33.79 55.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 54.21 111.115 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -31.08 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.912 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 m -78.73 -32.4 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.883 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 6' ' ' GLU . . . -75.42 -42.12 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 52.5 111.057 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER -55.13 -61.91 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.96 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.577 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 141.09 67.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 14.43 112.486 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 35.8 mm . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 75.32 111.081 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.879 0.371 . . . . 75.25 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -149.35 18.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 54.51 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p -82.58 147.27 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.15 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -141.36 25.1 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 65.13 110.825 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.91 168.41 13.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.916 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.408 ' OD2' HG12 ' A' ' 127' ' ' VAL . 18.7 t0 -51.51 154.51 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 74.43 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.4 t -91.27 144.45 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 64.02 111.134 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.464 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 25.7 t80 -70.18 79.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.958 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.514 ' O ' HG21 ' A' ' 127' ' ' VAL . 67.2 p -107.82 179.88 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 62.14 111.156 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 40.78 77.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.919 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.23 -148.37 3.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 61.22 112.515 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.27 -170.04 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.889 0.376 . . . . 43.54 110.825 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -136.5 -177.09 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 74.41 110.94 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.5 p -141.26 115.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 72.12 111.096 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 70.31 -70.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 72.11 110.869 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.77 25.15 0.16 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 74.01 112.491 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.43 -175.65 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 73.04 110.956 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -125.67 135.2 51.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.917 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.65 125.14 31.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 62.11 111.079 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -110.21 130.7 55.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.226 -0.443 . . . . 65.53 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -135.72 163.63 29.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.52 111.128 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.17 167.63 21.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 64.54 110.941 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . . . -105.37 108.53 20.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.14 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.3 m-85 -104.5 139.8 38.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.901 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 31' ' ' LYS . 7.2 t -152.46 133.01 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 53.1 111.118 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -122.24 124.42 43.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.942 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.41 13.92 9.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.291 -0.413 . . . . 71.55 110.9 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.88 27.91 22.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 73.41 112.452 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -132.96 -179.09 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 73.21 110.92 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.1 99.77 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.41 111.105 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -85.63 -56.64 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.826 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -131.06 147.18 52.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 71.34 110.889 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -157.03 59.31 0.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.52 . . . . 73.31 110.828 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.58 103.03 4.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.903 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -62.1 -170.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 72.01 111.056 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -150.98 130.79 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 65.21 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.4 t -103.91 155.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 74.42 111.146 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.422 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -109.21 -151.68 14.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 43.11 112.497 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.35 46.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 73.12 110.869 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -121.61 153.08 59.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 62.24 110.878 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -48.53 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.689 2.259 . . . . 63.51 112.338 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.58 -33.19 69.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.35 111.104 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.91 -21.52 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 55.54 111.111 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.7 19.62 20.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 43.2 111.168 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -126.62 -1.56 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.13 111.131 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 mmt -98.7 35.21 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 74.35 110.879 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB2' HG23 ' A' ' 51' ' ' VAL . 3.3 mtt180 56.35 31.13 18.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.851 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 64.41 14.78 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 49' ' ' ARG . 84.2 t -73.2 -43.44 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 44.12 111.17 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -51.52 -30.09 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 71.32 111.061 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.92 -38.88 75.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 14.14 112.457 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -52.88 -55.34 23.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 63.32 110.947 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.597 HG22 HD21 ' A' ' 59' ' ' LEU . 3.3 mt -75.46 -31.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.13 111.097 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 52' ' ' ALA . . . -46.61 -50.39 17.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.124 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 23' ' ' ALA . . . -54.53 -49.37 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 71.03 111.105 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.87 -34.86 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 70.41 111.043 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.597 HD21 HG22 ' A' ' 55' ' ' ILE . 5.5 mt -62.11 -67.16 0.44 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 55.31 110.884 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -59.16 -28.67 66.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.946 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -62.27 -40.65 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.127 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 58' ' ' ALA . 99.3 t -76.27 -44.94 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 65.2 111.145 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -51.64 -49.45 62.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.88 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.742 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.9 mmtp -77.07 -31.24 55.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 73.44 110.915 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.08 -33.25 38.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.33 111.053 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.1 t -74.91 -28.54 60.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 60.25 110.886 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.72 -42.95 63.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 63.22 110.899 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.5 mp -79.01 -2.31 39.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.892 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.55 13.1 58.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 33.34 112.493 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.36 156.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 75.23 111.147 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.62 149.18 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.87 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.8 pt -100.21 151.95 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 74.52 111.11 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.926 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.908 0.385 . . . . 74.34 110.953 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 82' ' ' ALA . . . -174.13 85.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 74.31 111.124 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -49.57 -30.56 13.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.785 -0.721 . . . . 53.54 112.407 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.78 -31.74 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 74.34 111.118 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . . . -73.39 -7.7 52.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 70.33 111.087 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -62.13 -57.57 11.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 72.41 110.875 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.438 ' CZ2' HG11 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -83.78 -11.83 56.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.873 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.594 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -49.13 -26.2 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 65.1 111.083 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 72.34 111.126 -179.884 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.875 0.369 . . . . 75.2 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -40.92 59.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 45.45 111.163 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -40.85 45.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.933 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.18 -36.32 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 65.33 111.13 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.414 ' CD2' HG21 ' A' ' 115' ' ' VAL . 15.1 t80 -53.71 -55.36 26.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.15 110.928 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.43 -29.76 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 54.32 111.084 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -76.0 -48.52 20.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.64 -18.37 62.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.02 110.866 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.8 ttt -60.02 -67.22 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 70.35 110.872 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -56.0 -30.23 61.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 54.12 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -44.87 54.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.939 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -131.73 35.78 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 63.12 110.896 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -84.73 128.17 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.859 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 156.94 -20.55 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.735 . . . . 33.31 112.484 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.07 -33.08 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 64.14 111.089 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -112.14 167.93 10.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.945 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.46 142.93 47.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.832 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.35 172.1 10.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 54.24 110.853 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.87 147.14 23.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.811 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.594 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -51.52 146.66 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 65.32 110.937 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.438 HG11 ' CZ2' ' A' ' 84' ' ' TRP . 0.0 OUTLIER -122.89 149.95 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 51.14 111.18 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 8.7 mmtt -104.69 -80.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.9 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 174.83 127.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 60.43 111.097 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.85 -169.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.797 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.38 -168.89 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 64.32 110.826 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -90.65 -149.5 22.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.773 . . . . 70.14 112.509 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -178.35 -165.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 55.31 110.902 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -20.71 14.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.914 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.46 -30.83 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 64.4 110.862 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.825 ' O ' HG22 ' A' ' 127' ' ' VAL . 2.4 p-10 -76.52 -42.47 43.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 62.22 110.901 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.49 -24.48 8.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.851 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.63 -30.76 22.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.13 110.954 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 124' ' ' ASN . 17.9 m -55.19 -24.07 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 64.3 111.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -53.33 -51.7 61.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.898 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.5 ttm -73.11 -42.98 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 61.1 110.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.74 -50.68 67.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.86 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.81 -38.33 61.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.15 111.087 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -53.29 -35.26 59.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -40.12 30.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 62.31 110.877 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.18 -34.02 68.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 74.32 111.149 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -77.12 -55.9 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.97 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.592 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 134.34 83.07 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 45.2 112.485 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 70.52 111.124 -179.924 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.776 0.322 . . . . 71.31 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -98.12 30.31 3.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 72.21 110.863 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -51.22 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.05 111.173 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 71.87 -68.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 72.1 110.879 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -50.38 157.6 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.905 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -52.93 159.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 62.24 110.847 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.579 HG12 HG23 ' A' ' 11' ' ' THR . 71.7 t -90.57 142.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.082 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -70.9 78.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.981 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.736 ' O ' HG21 ' A' ' 127' ' ' VAL . 17.8 p -121.4 178.59 4.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 72.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 64.11 64.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 51.34 110.848 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.8 -3.93 75.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 64.43 112.45 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t 63.45 -169.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 74.03 110.835 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -86.63 165.63 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 73.1 110.918 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 16' ' ' VAL . 3.8 p -139.86 109.12 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 52.22 111.128 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 69.62 -71.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.05 20.23 0.35 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.747 -0.739 . . . . 74.42 112.465 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -129.06 174.74 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 71.01 110.87 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -133.65 135.31 44.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.918 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.45 170.95 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 61.01 111.072 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -139.37 132.48 29.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 64.12 110.97 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' HG22 ' A' ' 11' ' ' THR . . . -131.64 168.65 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.43 111.057 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.402 ' HB3' HG22 ' A' ' 11' ' ' THR . 2.4 p90 -161.72 147.97 13.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 71.13 110.934 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.56 107.33 19.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 72.32 111.174 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -100.57 140.05 35.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.2 110.838 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.0 t -137.18 134.23 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 75.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.39 133.54 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 63.4 110.892 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.6 t0 67.55 12.0 8.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 72.11 110.847 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.43 24.94 27.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 73.01 112.447 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 27' ' ' VAL . 1.5 ptpt -149.64 160.02 43.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 64.3 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.11 123.7 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 63.15 111.14 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -107.71 -53.08 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.868 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -130.22 152.42 49.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 63.13 110.934 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.68 91.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 71.51 110.925 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.06 -42.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 53.24 110.868 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 64.42 164.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 63.21 111.015 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.66 161.73 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.887 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 40' ' ' GLY . 17.8 t -108.54 155.43 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 75.41 111.097 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -114.49 174.96 15.8 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.483 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.54 55.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 75.44 110.945 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -127.17 156.34 74.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.569 0.7 . . . . 73.41 110.887 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.442 ' O ' HG22 ' A' ' 47' ' ' THR . 54.1 Cg_endo -69.7 -42.28 3.6 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 73.0 112.369 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.462 ' HB1' ' CZ ' ' A' ' 95' ' ' PHE . . . -52.91 -27.54 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 40.53 111.073 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.44 -45.44 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.22 111.118 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -24.22 55.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 55.31 111.125 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 43' ' ' PRO . 2.8 t -62.73 -32.98 74.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.21 111.099 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.581 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 7.3 mtp -89.05 1.13 56.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.03 110.813 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 71.93 -71.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 73.32 110.907 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.08 -30.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 74.55 110.84 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.659 ' O ' HD12 ' A' ' 55' ' ' ILE . 39.8 t -49.85 -30.44 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 74.32 111.128 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.581 ' HB2' ' CG ' ' A' ' 48' ' ' MET . . . -76.53 -58.66 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 41.22 111.076 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.44 -48.53 75.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 62.04 112.455 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.99 -39.06 62.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 73.41 110.92 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 51' ' ' VAL . 10.5 mt -76.28 -32.22 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 41.52 111.132 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HA ' ' HG ' ' A' ' 59' ' ' LEU . . . -49.08 -32.02 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 62.11 111.155 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.453 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -52.3 -51.06 60.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 50.1 111.15 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.51 68.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 54.41 111.055 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD13 HD13 ' A' ' 102' ' ' LEU . 9.0 mt -52.32 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.927 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -62.53 -34.69 77.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 60.43 110.914 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.29 83.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.473 HG21 ' CE1' ' A' ' 110' ' ' TYR . 79.0 t -76.63 -48.3 26.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.099 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -51.4 -44.11 62.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 64.03 110.918 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.7 mmtp -74.58 -30.87 61.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 42.44 110.95 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.457 ' HB3' HG13 ' A' ' 109' ' ' ILE . . . -51.19 -32.05 22.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 34.5 111.081 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB2' HD12 ' A' ' 109' ' ' ILE . 4.7 t -75.78 -33.82 60.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.903 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -62.41 -33.87 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 64.4 110.933 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -94.51 3.89 54.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.934 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.61 19.49 42.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 73.11 112.541 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 68' ' ' LEU . 7.6 m -110.95 -171.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.368 . . . . 75.01 111.123 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.05 -169.07 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.951 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.634 HD12 ' NH1' ' A' ' 73' ' ' ARG . 10.7 pt -137.89 -178.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.15 111.183 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.634 ' NH1' HD12 ' A' ' 72' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.828 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.855 0.36 . . . . 75.12 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.92 -175.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 72.54 111.128 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.81 -37.17 56.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 65.23 112.45 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.623 HG23 ' HZ3' ' A' ' 84' ' ' TRP . 47.9 mm -50.56 -32.82 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 65.33 111.132 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 86' ' ' THR . . . -78.53 -34.26 47.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 65.34 111.077 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -55.3 27.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 73.21 110.89 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.623 ' HZ3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -72.16 -32.52 66.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 74.33 110.93 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.04 -29.65 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 62.53 111.111 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 82' ' ' ALA . 27.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 54.4 111.158 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.462 ' CZ ' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.931 0.396 . . . . 75.53 110.881 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.18 -32.71 59.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.04 111.195 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -46.17 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.897 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.02 91.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.52 111.059 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.465 ' CG ' HG21 ' A' ' 55' ' ' ILE . 14.7 m-85 -52.68 -35.05 54.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 63.25 110.975 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -71.81 -28.89 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 73.45 111.145 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -74.45 -44.36 52.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 64.14 110.918 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.484 HD13 HD13 ' A' ' 59' ' ' LEU . 49.2 mt -54.04 -20.93 7.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 72.31 110.859 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -65.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.929 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -57.94 -31.45 66.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 70.31 110.948 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.62 67.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.93 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -114.22 27.12 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.92 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.74 128.45 33.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 64.42 110.881 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 156.85 -24.46 0.49 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.728 -0.749 . . . . 71.15 112.478 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.457 HG13 ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -105.78 -33.16 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 72.24 111.12 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.473 ' CE1' HG21 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -127.54 178.04 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 75.42 110.892 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.42 163.71 36.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 63.54 110.864 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.57 171.9 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 75.52 110.859 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -78.09 161.51 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 64.54 110.844 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.23 129.08 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 61.24 110.922 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.458 HG23 ' HB1' ' A' ' 100' ' ' ALA . 1.0 OUTLIER -118.14 140.46 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 65.33 111.116 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -130.76 -76.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 70.02 110.907 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -179.3 133.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.51 111.102 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.07 -169.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.445 . . . . 74.22 110.816 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -150.58 172.77 14.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.835 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.15 -149.9 5.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 71.14 112.529 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.85 -78.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 75.44 110.847 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.64 10.99 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 65.35 110.924 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -48.01 -41.37 25.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 64.1 110.929 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.756 ' O ' HG22 ' A' ' 127' ' ' VAL . 8.5 p30 -75.7 -40.31 55.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 72.4 110.875 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.16 -23.09 32.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.818 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -51.97 -42.52 62.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 65.41 110.948 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 124' ' ' ASN . 20.5 m -55.78 -25.4 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.03 111.129 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.18 -50.06 74.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 14.2 ttp -72.38 -40.69 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.24 110.91 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -54.01 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.932 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.34 -33.83 55.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 53.42 111.147 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -30.47 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.856 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.4 m -73.29 -34.85 65.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 53.54 110.855 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.2 -39.44 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 64.23 111.149 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.92 -44.83 63.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.97 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.99 37.82 2.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 62.42 112.445 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 33.7 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 75.33 111.091 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.782 0.325 . . . . 73.41 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -151.38 20.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 62.23 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.8 p -73.61 -176.14 2.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.095 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.78 -64.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.822 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -50.0 164.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.915 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -50.83 157.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 64.02 110.87 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.617 HG12 HG23 ' A' ' 11' ' ' THR . 58.5 t -90.18 142.19 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 51.01 111.112 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -70.57 79.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.979 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.714 ' O ' HG21 ' A' ' 127' ' ' VAL . 27.9 p -118.76 178.97 4.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 64.35 111.169 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER 63.03 -171.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 61.41 110.903 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.14 141.97 12.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 73.24 112.488 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.58 177.07 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.352 . . . . 60.31 110.847 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.591 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 13.7 t80 -140.26 -70.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 73.12 110.9 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -143.41 128.97 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 53.14 111.125 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 46.27 -158.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 74.41 110.928 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.07 51.94 4.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 64.24 112.458 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.05 -175.63 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 63.11 110.937 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -129.05 136.56 50.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 75.12 110.926 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 15' ' ' TYR . . . -142.85 173.17 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.116 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.611 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 24.5 p-90 -138.65 130.41 27.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.891 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' HG22 ' A' ' 11' ' ' THR . . . -135.34 168.38 19.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 55.31 111.183 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -163.05 165.21 25.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.882 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.5 107.09 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.062 -0.517 . . . . 52.43 111.061 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.2 m-85 -91.14 140.08 30.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 74.1 110.946 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 t -144.02 127.91 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 73.2 111.137 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -121.62 131.69 54.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 74.41 110.891 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.15 13.42 8.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.888 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.5 23.34 37.04 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.767 -0.73 . . . . 70.21 112.473 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.72 170.15 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 44.35 110.876 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.48 119.48 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 61.44 111.087 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -107.58 -49.3 3.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 75.01 110.846 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -130.18 163.63 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 73.13 110.909 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -171.6 96.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.925 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -174.46 119.14 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 73.33 110.818 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.52 -176.78 6.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 64.34 111.123 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -153.87 138.95 17.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 54.31 110.844 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.9 t -105.18 155.49 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.13 111.131 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -111.41 -163.31 17.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 73.33 112.438 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.77 52.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 52.11 110.902 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -114.65 154.91 46.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.596 0.712 . . . . 63.12 110.906 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.534 ' O ' HG22 ' A' ' 47' ' ' THR . 54.4 Cg_endo -69.72 -48.76 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 71.54 112.367 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.75 -19.95 63.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 60.41 111.125 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.77 -35.19 13.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 61.52 111.105 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.22 -40.78 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 65.54 111.108 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 43' ' ' PRO . 5.6 t -60.54 -20.13 59.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 73.11 111.127 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.63 ' O ' HG23 ' A' ' 51' ' ' VAL . 25.4 mtp -90.97 12.48 19.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 73.43 110.861 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 69.94 -72.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 73.34 110.857 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -162.59 22.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 52.31 110.867 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.743 ' O ' HD12 ' A' ' 55' ' ' ILE . 35.9 t -74.18 -51.0 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 71.22 111.13 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.581 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -66.73 -20.13 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 62.32 111.091 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.49 -49.81 8.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 61.13 112.529 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 12' ' ' ASP . 21.0 pt-20 -64.97 -47.93 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 73.01 110.884 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 51' ' ' VAL . 4.5 mt -65.89 -32.01 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.5 111.103 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 22' ' ' TRP . . . -47.05 -49.07 22.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 52.44 111.086 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' A' ' 23' ' ' ALA . . . -49.78 -54.65 17.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.14 111.062 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.05 -30.13 24.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 32.24 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.1 mt -69.49 -67.29 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.928 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.584 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 34.1 m-85 -58.46 -25.05 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 71.41 110.94 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.65 96.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 74.41 111.125 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 58' ' ' ALA . 93.8 t -76.28 -43.76 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 54.14 111.132 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -51.86 -48.21 64.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 63.2 110.929 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.72 -31.19 56.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.884 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.9 -32.36 32.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 75.1 111.133 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -76.07 -28.86 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.83 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.48 -43.57 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.939 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.6 mp -77.91 -3.24 40.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 74.2 110.926 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.42 11.39 59.42 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 33.44 112.506 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 m -101.65 -171.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 71.12 111.111 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.99 -169.93 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.864 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.401 HD11 ' CB ' ' A' ' 110' ' ' TYR . 8.9 pt -138.15 -178.99 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.52 111.154 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 65.15 110.848 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.904 0.383 . . . . 65.14 110.85 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.99 -165.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.096 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.39 -35.24 35.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 71.33 112.469 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.62 HG21 ' CD1' ' A' ' 112' ' ' PHE . 1.9 mp -56.14 -24.1 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 74.34 111.169 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.3 -22.74 12.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.052 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.31 -56.44 11.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 73.3 110.901 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.461 ' CE3' HG12 ' A' ' 115' ' ' VAL . 8.1 m-90 -73.0 -29.92 63.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.889 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.59 -28.67 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 62.13 111.145 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.5 111.173 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.941 0.4 . . . . 64.32 110.845 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.459 HG21 ' H ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.49 -34.98 60.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 53.2 111.167 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HG3' ' HB2' ' A' ' 117' ' ' ALA . 3.8 mp0 -58.11 -42.17 85.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 43.04 110.986 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.5 -36.29 22.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 63.45 111.172 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.793 ' CD2' HG21 ' A' ' 115' ' ' VAL . 5.6 t80 -53.59 -48.57 69.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.925 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -60.78 -27.27 67.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 64.54 111.124 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -74.71 -51.39 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 64.32 110.886 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.49 ' CD1' HD13 ' A' ' 59' ' ' LEU . 7.7 mt -53.89 -24.66 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 60.3 110.895 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.874 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.9 -30.52 61.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 71.22 110.905 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -47.76 50.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 62.43 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 34.79 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 43.21 110.924 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 128.15 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 74.42 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.54 -21.68 0.33 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.789 -0.72 . . . . 53.52 112.517 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -33.7 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 73.32 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.401 ' CB ' HD11 ' A' ' 72' ' ' ILE . 9.1 p90 -115.75 177.75 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 63.43 110.915 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -139.78 151.75 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.863 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -175.95 172.76 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.14 110.915 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.41 164.11 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.894 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -71.59 78.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 61.4 110.943 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.793 HG21 ' CD2' ' A' ' 99' ' ' TYR . 15.0 m -50.87 111.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 62.44 111.107 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.6 mmtt -71.22 -78.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.863 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 176.31 150.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 60.4 111.106 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.459 ' H ' HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER -179.77 -177.1 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 70.12 110.814 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 p -91.29 -169.08 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.857 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -111.76 138.39 14.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 45.41 112.545 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -135.85 -140.15 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 62.34 110.919 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -106.12 -2.69 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.924 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -53.09 -26.5 16.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 55.33 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.741 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.5 p30 -75.6 -36.64 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.34 110.894 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.62 -24.02 45.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.954 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -52.17 -36.97 53.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.99 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 124' ' ' ASN . 27.2 m -55.58 -22.11 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 74.52 111.188 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -61.48 -53.02 61.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 75.04 110.876 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.8 ttm -69.15 -44.3 72.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.867 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -49.11 78.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.944 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.82 68.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 52.01 111.145 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -51.84 -30.0 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 72.13 110.851 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.1 t -70.72 -45.84 64.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.823 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.46 74.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 53.11 111.069 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.05 93.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 63.45 110.897 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 100.89 29.39 6.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 71.44 112.515 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 34.3 mm . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 73.52 111.142 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.852 0.358 . . . . 63.25 110.843 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -92.51 119.2 31.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.881 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.4 p -138.69 -78.1 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 74.43 111.173 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 61.65 62.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.918 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.738 ' CD2' ' HB2' ' A' ' 134' ' ' ALA . 16.2 p90 -174.6 135.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.15 110.945 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.446 ' OD1' HG12 ' A' ' 127' ' ' VAL . 17.8 t70 -49.55 160.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.872 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.764 HG12 HG23 ' A' ' 11' ' ' THR . 78.9 t -89.74 142.9 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 72.43 111.127 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -71.25 78.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 70.31 110.904 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.764 HG23 HG12 ' A' ' 9' ' ' VAL . 61.6 p -130.82 155.52 46.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 64.45 111.162 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.35 59.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 62.13 110.855 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.18 66.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.667 -0.778 . . . . 41.15 112.438 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.53 126.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 72.41 110.849 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -158.14 161.34 37.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 70.3 110.947 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 16' ' ' VAL . 8.6 p -142.24 125.38 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 62.4 111.148 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 46.19 -156.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.879 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.95 54.96 3.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.681 -0.771 . . . . 74.25 112.461 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -143.93 -179.21 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 55.32 110.845 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.482 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 9.0 p90 -129.76 134.59 47.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.887 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.84 159.48 40.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 63.45 111.114 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -132.47 130.53 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 72.43 110.968 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.965 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -127.99 168.14 15.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 62.02 111.05 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.08 176.57 11.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 71.54 110.934 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.21 125.65 51.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 74.53 111.124 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.53 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.4 m-85 -113.69 140.46 48.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.828 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 t -143.32 133.17 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 44.43 111.141 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' CE ' HD23 ' A' ' 68' ' ' LEU . 1.2 mmmt -139.39 141.81 37.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 63.45 110.907 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 66.44 13.15 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 25.01 110.858 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.84 7.73 68.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 23.41 112.401 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -134.52 169.47 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 70.04 110.89 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -64.38 125.61 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.22 111.156 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -107.53 -57.59 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.32 110.834 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -130.14 159.86 35.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 73.21 110.911 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.52 87.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 75.34 110.885 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -159.69 138.99 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 64.23 110.826 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.965 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -92.85 179.88 5.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 63.15 111.115 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.35 148.95 30.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 45.14 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.9 t -108.73 155.65 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 75.24 111.17 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -114.41 -154.61 11.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 52.42 112.451 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.34 55.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 64.21 110.945 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -122.38 154.85 62.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 71.1 110.899 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.67 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.653 2.236 . . . . 73.32 112.381 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.91 69.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 45.43 111.102 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB1' ' CE2' ' A' ' 20' ' ' TYR . . . -95.04 14.11 22.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.44 111.122 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.07 12.6 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 74.43 111.153 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -119.62 12.69 12.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.114 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.39 22.36 8.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 52.21 110.975 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 72.09 -73.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 70.14 110.852 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -172.15 22.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.848 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.12 -32.82 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 72.5 111.118 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.24 -55.9 5.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 74.1 111.107 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.84 -33.62 56.37 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.744 -0.741 . . . . 71.14 112.483 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.62 -54.39 47.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 53.33 110.86 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mt -74.02 -31.49 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 72.2 111.175 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.502 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.55 -38.02 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 62.31 111.069 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -51.0 -47.41 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.41 111.122 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.52 -37.56 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 72.33 111.113 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.9 mt -62.81 -66.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 52.32 110.991 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.502 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 36.7 m-85 -53.64 -28.35 32.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.951 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.77 80.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.043 -0.526 . . . . 54.41 111.079 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 58' ' ' ALA . 69.7 t -75.93 -43.36 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.107 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -51.5 -48.41 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.89 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.701 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -77.2 -31.38 55.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 52.33 110.902 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.03 -34.39 42.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 51.15 111.11 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 t -73.95 -28.79 61.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 52.51 110.897 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -72.22 -39.57 68.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 54.24 110.953 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -82.49 1.56 37.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.888 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.87 22.01 39.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 45.42 112.512 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 68' ' ' LEU . 8.1 m -108.77 -175.9 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 52.13 111.206 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -138.19 152.53 48.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.957 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.6 pt -100.21 179.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 71.34 111.115 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 62.42 110.849 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.93 0.395 . . . . 74.12 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.25 -169.52 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.51 . . . . 73.24 111.148 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -56.28 -22.68 38.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.742 . . . . 64.11 112.567 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.502 HG23 ' HE3' ' A' ' 84' ' ' TRP . 8.0 mm -79.58 -21.18 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 75.04 111.11 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.52 -37.03 74.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 51.35 111.131 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -92.91 -20.93 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 62.15 110.902 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.742 ' CE3' HG21 ' A' ' 115' ' ' VAL . 12.7 t90 -75.9 -27.15 57.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 73.34 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.763 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -80.93 -18.83 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 74.54 111.127 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 73.41 111.163 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.949 0.404 . . . . 73.24 110.892 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.666 HG22 ' CZ2' ' A' ' 84' ' ' TRP . 0.0 OUTLIER -75.48 -40.5 57.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 73.13 111.164 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -39.68 35.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 62.14 110.888 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.19 -40.83 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 61.41 111.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.517 ' HD1' HD21 ' A' ' 59' ' ' LEU . 73.0 t80 -52.27 -55.51 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.913 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.4 -32.25 38.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 53.34 111.063 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -76.93 -56.52 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.33 110.927 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.556 ' CD1' HD13 ' A' ' 59' ' ' LEU . 46.8 mt -55.69 -21.71 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 54.11 110.86 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.91 -67.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 61.32 110.847 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -56.43 -30.49 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 72.25 110.893 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -49.22 54.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.874 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.493 ' OH ' HD22 ' A' ' 59' ' ' LEU . 1.9 p90 -126.84 35.45 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.946 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.89 129.56 34.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.838 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.74 -21.18 0.38 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 43.1 112.497 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -31.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 62.24 111.17 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -117.7 177.6 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 75.33 110.963 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 t -148.75 161.46 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.828 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -170.93 172.84 5.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.869 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.43 155.07 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 63.32 110.927 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.79 101.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.96 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.763 HG23 ' HA ' ' A' ' 85' ' ' ALA . 3.4 p -114.13 146.97 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 70.33 111.164 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -129.84 -65.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 52.22 110.872 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.68 160.21 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.097 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 179.62 -169.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.22 110.797 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.6 p -82.66 -75.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 62.22 110.859 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 139.44 -173.83 22.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.662 -0.78 . . . . 65.12 112.47 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -179.42 -169.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 55.31 110.902 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -6.84 51.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.913 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -51.61 -29.72 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.772 ' O ' HG22 ' A' ' 127' ' ' VAL . 2.8 p30 -74.04 -41.98 60.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.873 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.58 -25.04 9.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 63.52 110.931 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -52.43 -36.26 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.92 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 124' ' ' ASN . 32.5 m -55.57 -23.58 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 42.33 111.156 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -60.85 -53.59 55.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 73.51 110.873 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -39.94 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 60.24 110.883 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -46.69 86.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 72.45 110.914 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.93 71.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.109 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.69 ' HG2' HD12 ' A' ' 137' ' ' ILE . 3.4 mttp -59.58 -36.03 75.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 73.51 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 t -59.75 -31.74 69.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 65.2 110.832 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.738 ' HB2' ' CD2' ' A' ' 7' ' ' TYR . . . -51.61 -40.4 59.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 71.51 111.059 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 mp -88.46 -13.6 39.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 74.14 110.952 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.87 36.79 35.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 72.53 112.422 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.69 HD12 ' HG2' ' A' ' 132' ' ' LYS . 4.1 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 73.23 111.077 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.767 0.317 . . . . 62.42 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.73 -179.78 8.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 62.51 110.903 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.3 -168.95 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.888 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -159.12 24.26 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 53.12 110.844 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -70.34 165.24 22.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.147 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -157.03 26.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.876 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.594 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 23.6 m-85 -139.02 154.05 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 64.4 110.879 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -50.89 153.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 60.24 110.846 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.615 HG12 HG23 ' A' ' 11' ' ' THR . 94.0 t -90.39 147.68 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.175 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -68.39 78.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.685 ' O ' HG21 ' A' ' 127' ' ' VAL . 71.1 p -139.36 164.19 30.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 63.5 111.129 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.549 ' CG ' HD11 ' A' ' 81' ' ' ILE . 0.9 OUTLIER 64.5 108.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.896 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.22 85.53 1.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 73.33 112.459 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 t -175.6 141.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 75.45 110.866 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -179.23 157.39 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.896 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.6 p -129.08 115.21 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.23 111.147 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 70.43 -70.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 54.31 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.84 23.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 53.55 112.474 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -175.65 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 71.11 110.907 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -129.0 134.66 48.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.927 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.15 150.78 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 74.05 111.059 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -120.81 130.6 54.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.903 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 11' ' ' THR . . . -132.18 165.55 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 72.14 111.061 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.84 163.91 29.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 54.34 110.919 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.75 126.6 53.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 62.13 111.092 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.673 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.6 m-85 -109.12 140.06 43.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.53 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.0 t -143.43 129.41 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 74.35 111.087 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -124.55 134.26 53.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.918 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 t0 66.97 12.65 9.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.865 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.28 25.48 28.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 63.22 112.468 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 27' ' ' VAL . 8.3 ptpt -149.54 162.04 40.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 72.1 110.859 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.09 121.53 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 75.32 111.092 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -107.66 -46.04 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 64.41 110.841 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -130.21 177.31 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 71.31 110.896 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -179.36 103.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.942 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.92 145.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 65.31 110.855 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.59 -171.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.102 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -156.95 138.65 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 40' ' ' GLY . 17.6 t -111.52 155.67 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.121 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -101.78 -147.24 19.67 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 51.02 112.491 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.4 -33.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 71.04 110.881 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -50.76 147.8 8.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.736 . . . . 72.31 110.896 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' O ' HG22 ' A' ' 47' ' ' THR . 53.2 Cg_endo -69.8 -46.21 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 52.52 112.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.56 -30.78 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 73.12 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.21 -17.38 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 73.02 111.08 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.56 19.29 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 72.55 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 43' ' ' PRO . 14.3 t -125.97 -2.89 7.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 73.55 111.166 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.0 mmm -96.35 33.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 63.3 110.868 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.558 ' HB2' HG23 ' A' ' 51' ' ' VAL . 11.8 mtt180 63.42 28.05 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.34 110.821 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 64.22 15.32 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.558 HG23 ' HB2' ' A' ' 49' ' ' ARG . 86.9 t -72.96 -42.86 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.45 111.133 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -51.93 -29.69 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 53.24 111.08 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.78 -43.44 59.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.469 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -55.03 -54.65 40.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.361 . . . . 74.51 110.865 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.72 -30.19 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.12 111.092 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.19 -46.45 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.42 111.124 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.488 ' HB3' ' HB ' ' A' ' 11' ' ' THR . . . -50.18 -55.16 16.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 62.15 111.074 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.85 -29.8 21.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 73.42 111.056 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.6 mt -69.79 -67.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 61.21 110.932 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.619 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 33.6 m-85 -58.74 -23.27 59.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.964 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.54 96.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 61.33 111.088 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.8 t -76.28 -43.1 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.14 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -51.62 -47.92 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.894 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 68' ' ' LEU . 3.6 mmtm -76.66 -30.09 56.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.935 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.56 -31.78 37.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.116 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.4 t -76.06 -28.69 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.84 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -71.28 -41.01 70.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 72.44 110.895 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -81.96 0.67 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.946 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.63 17.03 47.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 65.05 112.481 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 68' ' ' LEU . 6.1 m -105.2 -179.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 73.23 111.17 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.78 153.77 48.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 54.12 110.877 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.545 ' O ' HG23 ' A' ' 74' ' ' ILE . 7.9 pt -100.06 179.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 75.45 111.134 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -54.12 119.38 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 61.13 110.896 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.614 HG22 ' H ' ' A' ' 111' ' ' SER . 20.6 pt -127.99 -35.4 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 55.53 111.118 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.4 93.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 36.2 m80 51.99 37.94 22.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 64.5 110.862 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -51.14 -59.45 4.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.86 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 82' ' ' ALA . 0.2 OUTLIER 68.57 -76.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.906 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 55.7 -168.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 65.33 111.135 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.46 -25.36 74.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 21.44 112.469 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.549 HD11 ' CG ' ' A' ' 12' ' ' ASP . 2.0 mp -65.19 -32.97 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.866 0.365 . . . . 61.54 111.171 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 78' ' ' TYR . . . -74.62 -5.44 43.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 62.02 111.098 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -68.75 -57.88 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 64.23 110.877 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -16.57 46.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 70.54 110.953 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 115' ' ' VAL . . . -58.03 -20.65 40.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.24 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.5 p -64.78 -18.84 65.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 71.43 111.136 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.15 81.88 1.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 70.25 112.458 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -100.02 -29.25 12.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 62.51 110.89 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.86 158.79 44.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.919 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.63 154.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.89 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.47 ' HB1' ' HG3' ' A' ' 97' ' ' GLN . . . -63.66 -35.58 81.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.41 111.097 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -42.46 82.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 74.42 110.839 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -48.99 123.55 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 63.31 110.861 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 63.84 169.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 74.41 110.867 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -89.92 6.11 43.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.908 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -26.89 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 71.24 111.172 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.47 ' HG3' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -48.48 -45.1 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 62.21 110.927 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.1 -33.32 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 71.13 111.095 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.419 ' CE2' HG21 ' A' ' 115' ' ' VAL . 9.5 t80 -54.31 -54.42 40.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.914 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.76 -31.92 65.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 60.43 111.144 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -74.27 -48.67 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.908 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.71 ' CD1' HD13 ' A' ' 59' ' ' LEU . 10.3 mt -58.19 -20.03 38.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.35 -66.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 45.11 110.872 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.23 -31.19 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 63.3 110.908 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -44.16 52.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 72.54 110.9 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -131.92 34.85 3.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 72.42 110.952 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -81.3 128.43 33.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 74.41 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.3 -21.03 0.41 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 52.21 112.468 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.02 -33.59 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 73.1 111.176 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -115.65 177.38 4.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.955 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.614 ' H ' HG22 ' A' ' 74' ' ' ILE . 1.4 m -145.2 154.32 42.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 45.22 110.859 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.3 171.89 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 70.43 110.891 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.17 -173.25 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.88 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.52 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 3.0 ttpp -77.24 124.25 27.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.925 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -119.52 105.36 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 64.33 111.174 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -67.72 -81.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.874 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -178.52 -174.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.03 111.101 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 60.8 t60 64.63 158.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.5 -176.37 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 63.13 110.847 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 142.39 91.58 0.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 30.5 112.462 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 t30 179.91 -167.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 73.01 110.911 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -105.32 9.4 33.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.921 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -51.24 -29.33 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.43 110.887 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.72 ' O ' HG22 ' A' ' 127' ' ' VAL . 13.2 p30 -75.67 -39.98 56.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 75.53 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.35 -24.95 13.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 71.24 110.843 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.82 -36.78 59.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.926 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 124' ' ' ASN . 19.8 m -57.27 -20.31 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.33 111.123 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.15 -50.71 70.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.909 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 7.4 ttp -72.45 -41.21 66.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 61.42 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -54.2 44.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 45.12 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.3 -33.96 55.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 73.31 111.149 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.42 -33.0 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.899 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.0 t -71.75 -32.68 67.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 62.13 110.889 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.594 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -79.92 -42.85 23.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 43.35 111.098 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 136' ' ' GLY . 2.5 tt -52.94 -56.58 14.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 74.23 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.589 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 137.34 74.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 52.23 112.475 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.544 HD11 HD22 ' A' ' 135' ' ' LEU . 24.0 mm -123.87 150.59 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 61.1 111.154 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.45 166.38 12.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 74.4 110.879 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.75 -177.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 73.53 110.904 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.9 mt -167.8 89.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.34 110.92 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.6 168.05 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.927 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -145.28 94.99 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 72.05 110.913 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -158.48 162.12 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -173.71 176.57 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 62.32 110.906 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.95 -178.97 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 50.22 110.841 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -142.35 136.61 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.867 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.15 110.879 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.784 0.326 . . . . 62.04 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -165.27 170.32 14.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 64.03 110.84 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -139.32 131.32 27.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.834 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -93.11 16.62 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -88.1 134.11 33.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 74.22 111.139 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -142.99 20.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 71.54 110.873 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -117.5 164.34 15.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 73.41 110.928 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -50.51 153.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.078 -0.51 . . . . 73.02 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.565 HG12 HG23 ' A' ' 11' ' ' THR . 55.4 t -90.84 143.46 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 54.11 111.161 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -71.71 78.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 63.24 110.943 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.696 ' O ' HG21 ' A' ' 127' ' ' VAL . 11.2 p -119.71 179.15 4.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.079 -0.51 . . . . 73.05 111.2 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.84 63.61 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.859 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.4 -110.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 74.24 112.469 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -172.02 145.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 61.44 110.836 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -51.97 168.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 75.14 110.892 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -140.25 110.63 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 73.12 111.211 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 70.26 -69.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 64.42 110.906 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.84 -36.71 0.07 OUTLIER Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.714 -0.755 . . . . 52.35 112.414 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.48 HE22 ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -83.19 -178.86 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 70.41 110.898 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.488 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 51.0 p90 -113.77 168.06 10.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 71.4 110.942 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.682 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -147.49 162.67 38.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 53.21 111.16 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.3 p-90 -141.66 130.57 23.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 75.02 110.913 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 11' ' ' THR . . . -128.72 169.13 14.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 64.23 111.088 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.05 169.98 22.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 55.02 110.917 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.52 125.12 53.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 71.12 111.146 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.642 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.4 m-85 -111.74 138.4 48.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 64.3 110.897 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 t -144.65 129.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 72.42 111.091 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -127.64 137.37 52.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 71.3 110.836 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 67.91 11.96 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.851 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.06 22.06 36.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 54.22 112.489 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.58 157.48 43.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 65.23 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -54.95 123.12 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 61.2 111.095 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -106.75 -44.97 4.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.839 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -130.38 174.99 9.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 61.34 110.906 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -177.81 105.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 73.43 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.79 159.33 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 72.43 110.908 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -127.83 175.08 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 64.55 111.072 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -153.84 170.68 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 71.25 110.913 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 21' ' ' ALA . 8.5 m -123.4 157.83 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 65.21 111.113 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.48 ' N ' HE22 ' A' ' 19' ' ' GLN . . . -92.31 -155.79 32.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 64.22 112.532 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.98 33.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 75.04 110.922 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -105.13 154.28 38.92 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 71.42 110.924 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' O ' HG22 ' A' ' 47' ' ' THR . 54.0 Cg_endo -69.76 -48.77 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.685 2.256 . . . . 63.23 112.286 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.7 -18.32 65.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 75.34 111.092 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB1' ' CZ ' ' A' ' 20' ' ' TYR . . . -90.47 -36.26 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 73.31 111.157 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.31 -41.7 80.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 63.23 111.148 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 43' ' ' PRO . 2.4 t -59.42 -20.82 57.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.086 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.412 ' HG3' ' HB2' ' A' ' 52' ' ' ALA . 17.9 mmt -83.34 1.45 41.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.01 110.917 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 62.06 -86.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.865 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -134.14 3.5 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.853 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG11 ' OE1' ' A' ' 94' ' ' GLU . 64.1 t -73.27 -39.71 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 61.01 111.105 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.412 ' HB2' ' HG3' ' A' ' 48' ' ' MET . . . -70.73 -47.19 61.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 60.44 111.092 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.39 -20.73 38.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 64.1 112.556 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.83 -55.45 8.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 73.43 110.92 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.0 mt -75.06 -30.51 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 71.25 111.086 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.38 -33.46 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 51.34 111.085 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.98 83.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.24 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.39 -29.27 23.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 63.34 111.142 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.506 HD13 HD13 ' A' ' 102' ' ' LEU . 9.4 mt -62.32 -66.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 62.11 110.923 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.78 98.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.5 111.057 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 58' ' ' ALA . 87.1 t -76.26 -47.27 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.13 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -51.61 -44.59 62.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.845 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.732 ' O ' HD12 ' A' ' 68' ' ' LEU . 18.0 mmmt -75.24 -30.79 60.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 73.53 110.847 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 71' ' ' LYS . . . -51.18 -36.24 40.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 64.41 111.087 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.424 ' HA ' HG21 ' A' ' 109' ' ' ILE . 4.3 t -70.47 -29.84 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 35.51 110.855 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -73.92 -40.62 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 62.23 110.908 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.1 mp -85.63 -8.78 58.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 52.2 110.88 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.71 35.13 37.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 30.23 112.524 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 68' ' ' LEU . 14.4 m -110.12 -30.29 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 72.52 111.186 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER 66.5 -174.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.5 110.857 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.1 pt -136.05 179.48 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 63.41 111.122 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -54.99 136.05 48.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.2 pt -125.68 139.79 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.42 111.117 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 68.48 -75.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 75.05 110.903 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.27 80.04 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.903 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -173.39 65.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 61.21 110.904 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -51.11 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 74.21 110.942 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 50.22 -167.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 63.54 111.11 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.43 -8.83 63.44 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 72.03 112.461 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.52 HG23 ' HZ3' ' A' ' 84' ' ' TRP . 8.9 mm -75.59 -46.14 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 64.03 111.165 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.33 -21.08 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.14 111.158 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -63.8 -55.58 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.23 110.828 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.52 ' HZ3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -81.01 -24.22 38.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.914 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.64 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -52.09 -28.3 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 70.32 111.149 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.0 p -64.44 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.181 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.4 43.21 98.63 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.658 -0.782 . . . . 73.12 112.576 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.79 -27.72 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 74.33 110.804 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -111.93 158.91 18.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 74.5 110.992 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -50.03 154.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 70.32 110.941 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.795 ' HA ' ' HB3' ' A' ' 117' ' ' ALA . . . -50.65 -30.23 13.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 43.21 111.098 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.89 -28.24 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 73.04 110.903 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.99 104.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 64.23 110.913 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.511 ' OE1' HG11 ' A' ' 51' ' ' VAL . 76.3 mt-10 53.47 -173.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 75.55 110.872 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -93.55 18.59 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -25.93 28.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 75.3 111.22 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.629 ' HG2' ' HB1' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -49.02 -47.11 44.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.891 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.23 94.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 74.23 111.083 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -53.02 -33.7 52.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 70.54 110.886 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.33 -29.16 63.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.03 111.118 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -74.2 -44.84 51.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 75.03 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.506 HD13 HD13 ' A' ' 59' ' ' LEU . 57.5 mt -58.35 -19.91 39.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.15 110.893 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.3 ttt -53.42 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 64.35 110.89 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -55.47 -33.46 63.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -49.25 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 73.22 110.914 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.42 ' CD1' HG11 ' A' ' 62' ' ' VAL . 1.7 p90 -115.29 30.29 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 63.14 110.93 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -85.49 127.07 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.526 . . . . 75.42 110.956 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 155.68 -20.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 55.11 112.458 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.424 HG21 ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -108.1 -33.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 65.03 111.125 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -118.92 177.82 4.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.948 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.48 141.62 23.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 64.54 110.922 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -154.75 172.16 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 75.23 110.867 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 154.97 36.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 61.55 110.918 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -51.21 132.68 28.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.92 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -121.57 145.99 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 75.22 111.185 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -135.43 -76.95 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 62.21 110.917 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.795 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . . . -177.64 133.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.44 111.108 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -174.93 155.85 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 73.5 110.864 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.7 p -50.55 167.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 53.55 110.942 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -108.35 -165.88 21.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 62.45 112.502 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -179.31 -168.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.321 . . . . 62.15 110.843 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -83.38 2.7 35.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 71.3 110.985 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -53.21 -29.99 35.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 74.23 110.893 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.794 ' O ' HG22 ' A' ' 127' ' ' VAL . 4.6 p30 -73.53 -38.23 65.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 72.5 110.897 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.4 -24.93 21.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 74.33 110.88 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.27 -34.18 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 71.23 110.861 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 124' ' ' ASN . 35.0 m -55.24 -24.35 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 62.52 111.126 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -56.59 -52.35 65.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.847 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -41.12 66.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.817 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.29 65.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 55.54 110.907 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.33 -36.57 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.0 111.171 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.644 ' HA ' HD12 ' A' ' 135' ' ' LEU . 2.1 tttt -52.55 -31.21 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.928 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 m -76.38 -35.02 58.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.885 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.42 -31.49 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 74.31 111.076 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 132' ' ' LYS . 2.1 mt -77.63 -51.49 10.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.35 110.904 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 115.95 41.14 0.79 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.706 -0.759 . . . . 75.21 112.451 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.9 mm -72.66 152.76 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.814 0.34 . . . . 62.54 111.168 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.32 166.09 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 75.03 110.904 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -179.68 -176.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 62.1 110.879 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.615 HD23 ' H ' ' A' ' 141' ' ' GLU . 0.3 OUTLIER -99.5 161.85 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 62.52 110.879 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.615 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.1 pt-20 -55.29 139.26 43.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 61.42 110.894 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.91 155.21 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.889 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.67 178.88 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 71.23 110.805 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -174.65 -178.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 70.35 110.852 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.8 160.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 75.3 110.842 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.08 168.38 2.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.851 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 22.3 t60 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 63.34 110.848 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.761 0.315 . . . . 61.12 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -152.65 161.32 42.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 73.31 110.832 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.52 -168.88 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.878 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -158.74 27.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 64.51 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 p -63.26 -76.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.23 111.158 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 63.81 16.5 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.424 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 24.2 m-85 -134.73 154.0 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.709 ' OD2' HG12 ' A' ' 127' ' ' VAL . 22.2 t0 -51.23 151.62 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.844 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG12 HG23 ' A' ' 11' ' ' THR . 73.2 t -91.39 142.78 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 75.3 111.154 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -71.48 79.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.927 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.605 ' O ' HG21 ' A' ' 127' ' ' VAL . 41.3 p -116.14 173.33 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.134 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.16 157.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.14 110.867 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.13 146.95 8.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 62.43 112.471 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -169.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.358 . . . . 74.24 110.831 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.722 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 16.1 t80 -147.35 -70.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.89 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.94 131.01 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.01 111.069 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 45.73 -156.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.899 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.93 50.22 4.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.47 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -179.2 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 73.41 110.831 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -125.99 135.45 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.31 110.971 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.722 ' HB3' ' HB2' ' A' ' 15' ' ' TYR . . . -147.54 173.05 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.094 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 28.8 p90 -139.34 130.62 26.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.848 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -131.79 165.38 23.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 55.4 111.077 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.81 167.93 24.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.924 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.18 125.36 54.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 54.35 111.073 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.648 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.7 m-85 -112.34 138.18 49.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.921 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.8 t -145.31 128.02 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 75.3 111.143 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.69 135.78 54.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.921 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.16 12.51 9.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 64.13 110.924 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.24 24.23 32.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 33.11 112.498 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' N ' HG13 ' A' ' 27' ' ' VAL . 5.2 ptpt -149.42 159.87 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 71.43 110.887 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.95 122.15 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.34 111.087 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -107.71 -45.06 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 73.14 110.865 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.11 -175.74 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.915 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -174.72 -168.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 73.02 110.827 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 65.26 153.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.876 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -120.33 -169.5 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.02 111.087 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -142.3 138.56 31.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.897 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.3 t -101.77 155.22 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 64.31 111.147 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -124.09 163.06 17.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.717 -0.754 . . . . 51.34 112.45 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 48.06 1.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 72.25 110.844 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -90.02 154.63 47.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.536 0.684 . . . . 75.11 110.945 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -48.33 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.676 2.251 . . . . 71.51 112.375 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.59 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.084 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.57 -52.57 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.118 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.1 93.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.139 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.7 t -58.14 -21.92 48.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 65.41 111.185 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.83 15.73 14.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 71.41 110.865 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 69.72 -73.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.774 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -164.3 23.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 75.3 110.87 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 119' ' ' SER . 88.9 t -74.39 -43.82 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.05 111.091 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.572 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -75.83 -23.37 55.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.066 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.64 -48.81 9.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 72.23 112.501 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -57.03 -46.95 81.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 74.12 110.905 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.628 HD13 HG23 ' A' ' 96' ' ' THR . 2.6 mt -74.3 -30.39 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 72.31 111.106 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.639 ' HB3' ' HB3' ' A' ' 22' ' ' TRP . . . -46.28 -33.45 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 73.42 111.104 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.46 ' HB3' ' HB ' ' A' ' 11' ' ' THR . . . -52.8 -54.05 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 71.12 111.144 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.08 68.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 60.1 111.125 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.693 HD13 ' CD1' ' A' ' 102' ' ' LEU . 14.5 mt -53.19 -67.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.924 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -65.82 -21.26 66.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.111 -0.495 . . . . 75.11 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -47.58 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 62.3 111.16 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 110' ' ' TYR . 99.6 t -71.95 -44.65 66.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.41 111.068 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -51.29 -47.86 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.04 110.891 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.641 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.8 mptt -76.6 -29.9 56.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 60.01 110.893 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.62 -33.5 46.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 64.42 111.1 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.8 t -73.71 -28.63 61.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 64.01 110.918 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -70.86 -38.68 73.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 52.01 110.889 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.68 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -87.42 4.45 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 72.13 110.933 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.9 25.61 31.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 52.12 112.453 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 68' ' ' LEU . 10.3 m -114.48 149.19 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.402 . . . . 64.41 111.108 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.81 149.62 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.911 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.634 ' O ' HG23 ' A' ' 74' ' ' ILE . 12.9 pt -100.47 179.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 51.14 111.14 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.91 123.01 12.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.823 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.634 HG23 ' O ' ' A' ' 72' ' ' ILE . 1.1 pp -130.02 -171.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 63.21 111.098 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.525 ' HB2' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER 55.68 49.7 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 65.42 110.869 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.673 ' NE2' ' HB1' ' A' ' 82' ' ' ALA . 55.9 t-80 58.88 96.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.843 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -87.88 7.35 31.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 60.31 110.853 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.48 36.03 15.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.92 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.492 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . . . -99.77 -169.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 63.04 111.09 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.5 -21.13 48.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 63.42 112.44 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.467 HG23 ' CZ3' ' A' ' 84' ' ' TRP . 12.1 mm -80.05 -46.03 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.348 . . . . 74.24 111.113 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.673 ' HB1' ' NE2' ' A' ' 76' ' ' HIS . . . -71.66 -9.65 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 74.3 111.049 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -75.99 -56.05 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 70.23 110.869 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.566 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.48 -19.22 42.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 75.22 110.979 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -48.69 -28.77 3.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 53.3 111.126 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 p -64.71 -41.43 95.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 73.21 111.176 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.92 98.49 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 51.03 112.523 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -100.3 -62.74 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 63.33 110.933 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -100.19 159.21 15.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 64.31 110.859 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.47 87.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 62.24 110.932 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . . . -80.34 1.3 29.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 75.14 111.113 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -44.86 -32.12 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.14 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -82.66 54.54 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 71.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -152.47 -174.11 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.87 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -108.59 -13.46 14.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 75.01 110.846 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.628 HG23 HD13 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -53.43 -26.9 21.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.43 111.175 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -49.85 -40.15 41.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.909 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.58 -31.53 10.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 72.23 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.43 ' CE2' HG21 ' A' ' 115' ' ' VAL . 88.6 t80 -54.09 -54.75 35.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.907 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -54.94 -32.73 61.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 61.23 111.109 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -74.81 -47.25 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.884 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.693 ' CD1' HD13 ' A' ' 59' ' ' LEU . 6.7 mt -64.02 -15.77 60.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.899 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.26 -66.15 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 62.03 110.937 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -51.15 -32.59 23.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.841 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -41.68 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 73.41 110.789 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.418 ' CD1' HG11 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -128.55 31.18 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.856 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.83 126.8 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 72.53 110.896 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.94 -20.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 54.13 112.46 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -33.88 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 73.03 111.127 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.505 ' CE1' HG21 ' A' ' 62' ' ' VAL . 4.7 p90 -118.77 177.86 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.945 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.569 ' H ' HG22 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -150.17 152.13 34.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 51.33 110.822 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -166.69 138.27 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.91 173.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 72.01 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.512 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -51.66 139.69 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 63.51 110.921 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -132.76 103.81 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 75.35 111.111 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -74.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 62.24 110.893 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . . . -178.08 158.43 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 64.51 111.124 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -176.82 151.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.797 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.606 ' O ' HG13 ' A' ' 51' ' ' VAL . 58.5 m -70.69 -74.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 73.42 110.873 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -177.24 179.74 47.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 61.14 112.5 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.31 -169.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 73.2 110.82 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -99.36 8.68 44.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 65.51 110.921 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -75.98 -30.84 58.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.808 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.775 ' O ' HG22 ' A' ' 127' ' ' VAL . 11.0 p30 -74.34 -38.33 63.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.898 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -54.75 -24.72 23.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.88 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.07 -34.27 42.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.916 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.775 HG22 ' O ' ' A' ' 124' ' ' ASN . 34.8 m -55.22 -25.15 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 71.35 111.158 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -46.58 90.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 72.44 110.855 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -49.25 33.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 72.1 110.877 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -54.92 34.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.937 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.55 -34.8 59.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 73.25 111.093 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.637 ' HG2' HD12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -52.61 -30.94 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.879 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.63 -32.81 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.02 110.808 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -69.79 -41.97 74.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.42 111.098 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.54 -24.62 62.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 64.25 110.93 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.3 31.8 7.37 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.768 -0.73 . . . . 51.43 112.44 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.637 HD12 ' HG2' ' A' ' 132' ' ' LYS . 20.9 mt -90.87 137.92 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 70.05 111.18 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -170.29 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.914 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.479 ' C ' HD23 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -179.33 151.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 75.14 110.882 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.479 HD23 ' C ' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -147.28 72.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.996 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.92 -175.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.876 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -164.03 175.55 10.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 62.03 110.845 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.04 170.14 20.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 72.1 110.83 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -172.04 168.02 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.926 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -162.36 173.75 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.824 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 128.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.05 110.855 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.847 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.762 0.315 . . . . 72.23 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.79 -171.89 3.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.839 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.616 ' CG ' HG23 ' A' ' 5' ' ' THR . 18.1 t0 -174.07 144.05 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 64.25 110.855 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.61 24.15 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.902 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.616 HG23 ' CG ' ' A' ' 3' ' ' ASP . 48.2 p -66.99 168.09 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 61.32 111.174 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 179.96 33.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.93 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -151.11 159.81 44.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 71.4 111.002 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.403 ' OD1' HG12 ' A' ' 127' ' ' VAL . 15.9 t70 -51.64 158.9 0.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.195 -0.457 . . . . 65.33 110.882 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.665 HG12 HG23 ' A' ' 11' ' ' THR . 55.9 t -91.49 142.54 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 61.24 111.15 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -71.52 79.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 64.53 110.881 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.812 ' O ' HG21 ' A' ' 127' ' ' VAL . 19.2 p -128.04 164.91 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 75.23 111.124 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.49 102.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 72.01 110.866 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.0 85.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.792 -0.718 . . . . 52.53 112.518 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -175.76 145.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 40.13 110.831 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -179.31 161.47 1.09 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 71.13 111.017 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.6 p -140.33 115.06 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.066 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 70.37 -70.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 65.55 110.924 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.93 21.76 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.839 -0.696 . . . . 55.52 112.505 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -177.44 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 74.01 110.921 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -116.59 134.63 54.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 64.33 110.932 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.8 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -128.71 165.75 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 73.34 111.007 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -140.34 130.67 25.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.909 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -138.39 150.35 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 63.24 111.165 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -153.3 156.09 37.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 63.13 110.86 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.48 129.23 45.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 64.51 111.118 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.545 ' CE2' HD11 ' A' ' 68' ' ' LEU . 2.4 m-85 -114.38 140.08 48.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.867 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 t -142.79 138.69 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 60.2 111.07 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.8 132.43 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 62.22 110.873 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 68.13 11.59 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.883 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.96 27.69 25.51 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.743 -0.741 . . . . 60.44 112.465 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -149.65 159.53 44.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.369 . . . . 75.42 110.922 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -54.98 119.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.161 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -107.78 -51.62 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 54.24 110.814 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -130.21 166.68 19.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 72.12 110.931 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.63 100.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 74.34 110.898 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.14 130.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.864 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.515 ' CB ' ' HB2' ' A' ' 23' ' ' ALA . . . -103.43 173.88 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 70.24 111.072 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -157.35 172.35 18.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.873 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 ' HB2' ' A' ' 21' ' ' ALA . 13.4 m -122.44 166.08 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 72.45 111.098 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.56 -143.76 12.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 61.34 112.473 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 34.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 64.03 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -102.17 149.04 36.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.608 0.718 . . . . 72.13 110.877 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' O ' HG23 ' A' ' 47' ' ' THR . 54.7 Cg_endo -69.73 -49.02 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.704 2.269 . . . . 75.51 112.342 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.647 ' HB1' ' CE1' ' A' ' 95' ' ' PHE . . . -65.09 -42.04 94.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 63.12 111.088 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.66 -14.25 60.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 54.23 111.078 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.67 17.99 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 74.34 111.071 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 43' ' ' PRO . 2.2 p -117.53 -19.24 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.161 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.588 ' O ' HG23 ' A' ' 51' ' ' VAL . 66.2 mmm -94.51 20.31 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 73.44 110.815 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 66.43 -78.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 75.55 110.905 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -155.09 18.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.838 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 48' ' ' MET . 24.7 t -73.8 -48.42 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.15 111.125 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.474 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -65.17 -49.53 69.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 35.24 111.104 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.76 -20.79 62.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 44.53 112.492 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.23 -55.65 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 63.55 110.848 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.62 -30.84 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.23 111.114 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.23 -33.01 4.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.099 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -59.17 -57.83 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 54.11 111.111 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.79 -37.13 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 64.31 111.166 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.579 HD11 ' CD1' ' A' ' 99' ' ' TYR . 7.2 mt -58.02 -67.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.923 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -57.57 -31.96 66.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 73.22 110.985 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -56.73 -39.67 74.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 70.44 111.067 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 58' ' ' ALA . 83.6 t -76.37 -44.25 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.55 111.045 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -51.37 -49.84 60.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.835 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.671 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.87 -31.34 56.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 54.32 110.961 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.31 -35.17 49.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.134 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.0 t -72.53 -28.79 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.904 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -70.27 -38.79 75.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 60.02 110.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -85.36 4.58 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.43 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.29 20.22 43.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.789 -0.719 . . . . 64.1 112.451 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 68' ' ' LEU . 8.5 m -109.89 178.1 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.965 0.412 . . . . 63.34 111.093 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -130.59 -170.93 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 74.11 110.883 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.1 pt -139.56 142.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.23 111.098 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -87.12 114.93 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 73.2 110.831 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.555 HD12 ' CD2' ' A' ' 112' ' ' PHE . 2.9 pt -158.64 23.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.14 111.094 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.15 108.04 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 72.04 110.891 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.98 19.73 10.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 65.22 110.871 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.709 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 16.4 p-10 -58.05 147.41 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 60.42 110.878 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -92.3 44.44 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.979 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.64 -172.2 3.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 51.43 111.092 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.45 -33.69 40.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 64.12 112.458 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.601 HG21 ' CD1' ' A' ' 112' ' ' PHE . 1.2 mp -69.34 -31.62 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 51.31 111.109 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 77' ' ' ASP . . . -62.17 -36.58 82.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.057 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -24.21 16.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.812 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.664 ' CE3' HG21 ' A' ' 115' ' ' VAL . 12.1 t90 -78.62 -27.41 45.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 75.44 110.912 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.745 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -81.91 -10.94 59.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 44.44 111.182 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.2 p -67.87 -41.42 82.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.14 111.128 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.15 75.47 2.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 75.33 112.489 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -51.6 -30.3 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 74.32 110.882 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -76.82 118.91 19.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -60.37 105.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.888 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 118' ' ' HIS . . . -76.72 -48.88 17.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 60.24 111.101 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -82.21 -31.0 30.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.871 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 63.23 36.42 11.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 51.21 110.858 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 179.2 153.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 72.45 110.875 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.647 ' CE1' ' HB1' ' A' ' 44' ' ' ALA . 3.5 m-85 71.43 -70.16 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.861 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.79 -46.86 71.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.141 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.83 -44.74 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.939 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.01 98.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 64.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.579 ' CD1' HD11 ' A' ' 59' ' ' LEU . 19.7 m-85 -53.74 -34.48 59.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 73.13 110.891 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.7 -27.11 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 60.53 111.084 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -74.6 -45.4 45.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.568 ' CD1' HD13 ' A' ' 59' ' ' LEU . 12.0 mt -54.89 -22.9 16.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 70.12 110.93 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.2 ttt -51.8 -66.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 64.2 110.849 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -55.34 -30.6 60.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 75.01 110.885 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -46.14 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 71.24 110.959 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -131.03 35.91 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 74.41 110.943 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.38 128.45 34.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 64.1 110.866 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.6 -20.85 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 43.35 112.523 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.73 -33.58 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 75.55 111.065 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.492 ' HB2' HD11 ' A' ' 74' ' ' ILE . 20.6 p90 -112.46 177.49 4.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 72.14 110.925 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.19 129.1 19.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 62.45 110.808 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.601 ' CD1' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -141.92 173.12 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.895 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.99 148.87 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 63.24 110.839 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.45 101.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.911 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.745 HG23 ' HA ' ' A' ' 85' ' ' ALA . 2.0 p -108.47 150.56 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 62.52 111.062 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -130.49 -75.67 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 75.3 110.872 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 90' ' ' LYS . . . -175.95 136.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 71.04 111.09 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.587 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 59.5 t60 -158.83 -82.1 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 74.55 110.84 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.4 p 177.44 -175.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 73.12 110.856 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.31 157.13 25.69 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.735 -0.745 . . . . 75.22 112.443 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.28 -77.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 63.34 110.942 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.82 -17.55 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -50.51 -36.99 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 65.31 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.792 ' O ' HG22 ' A' ' 127' ' ' VAL . 0.4 OUTLIER -76.36 -41.2 48.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 64.12 110.934 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.73 -24.67 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 64.41 110.852 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.9 -36.45 48.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.925 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.812 HG21 ' O ' ' A' ' 11' ' ' THR . 34.6 m -56.45 -23.57 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 61.4 111.165 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -62.06 -53.22 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 74.31 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 12.3 ttp -71.57 -32.85 68.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.54 110.883 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.66 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 74.33 110.937 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.82 71.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 53.23 111.069 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -52.05 -34.29 42.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.882 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.6 m -59.33 -41.27 88.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.756 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.54 -42.89 75.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 51.34 111.076 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.44 -24.23 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.902 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.47 41.73 9.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 54.12 112.479 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.53 151.12 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 52.55 111.133 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -176.38 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 53.41 110.844 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.38 78.74 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 43.41 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.23 173.76 6.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.95 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.48 -171.59 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 61.05 110.84 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -117.5 156.94 27.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.823 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.64 159.69 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.43 110.85 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -177.16 172.2 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.03 110.803 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -175.76 -64.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 63.02 110.845 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 69.27 -75.82 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 62.42 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.871 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.753 0.311 . . . . 64.21 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.03 179.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 71.51 110.85 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.21 -169.25 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.865 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -165.37 31.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.15 110.852 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 p -50.14 153.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.12 111.096 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 43.4 tp10 -51.52 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.826 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.43 -74.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.918 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -89.76 153.06 20.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.919 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.672 HG12 HG23 ' A' ' 11' ' ' THR . 75.0 t -93.49 146.42 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.51 111.203 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -70.07 79.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 75.33 110.913 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.672 HG23 HG12 ' A' ' 9' ' ' VAL . 82.2 p -135.42 178.31 7.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 72.11 111.135 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 64.07 102.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.85 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.72 -152.15 20.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 65.15 112.489 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.87 146.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 73.33 110.926 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -179.72 156.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 53.12 110.937 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -141.67 113.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.42 111.142 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 70.06 -71.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 70.21 110.824 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.5 26.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 64.1 112.471 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.93 -175.59 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.836 0.35 . . . . 72.11 110.864 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -129.57 135.54 48.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.938 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.16 169.3 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.25 111.17 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -135.92 130.47 33.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 72.1 110.883 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.552 ' O ' HG22 ' A' ' 11' ' ' THR . . . -131.83 166.22 22.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 70.35 111.136 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.83 159.31 26.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 65.04 110.879 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.43 119.9 40.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 63.02 111.099 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.668 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.2 m-85 -106.45 136.84 45.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.84 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 31' ' ' LYS . 4.3 t -148.39 131.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.121 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.65 134.87 52.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 65.3 110.958 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t0 66.39 13.24 9.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.27 -0.423 . . . . 71.14 110.892 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.6 23.43 36.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 72.11 112.425 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.1 ptpt -149.5 161.29 42.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 71.5 110.874 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.99 128.14 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.35 111.107 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -106.44 -59.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.85 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.84 134.46 11.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 71.53 110.883 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -126.85 132.77 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 41.43 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.37 107.91 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 72.11 110.878 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.44 -178.64 7.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 71.41 111.145 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -157.16 148.02 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 75.04 110.827 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 40' ' ' GLY . 21.2 t -113.43 155.33 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 60.04 111.163 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -107.64 -161.07 21.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 34.44 112.522 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.65 33.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 62.41 110.851 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -90.01 154.59 47.45 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.678 0.752 . . . . 75.11 110.9 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 44.45 112.398 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.17 -21.63 64.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 73.14 111.057 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.57 -25.42 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 72.45 111.06 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.67 17.54 19.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 55.04 111.16 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -118.79 -13.5 9.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 70.31 111.217 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 90.6 mmm -95.52 32.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 73.1 110.977 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.554 ' HB2' HG23 ' A' ' 51' ' ' VAL . 1.5 mtt180 63.59 28.13 15.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 70.3 110.913 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 64.0 15.68 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 61.13 110.843 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.554 HG23 ' HB2' ' A' ' 49' ' ' ARG . 95.2 t -72.75 -43.03 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.1 111.14 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.29 -39.29 56.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 72.01 111.102 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.31 -33.57 58.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.745 -0.74 . . . . 71.02 112.488 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.17 -54.29 48.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 54.14 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 mt -67.78 -31.27 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 74.52 111.17 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -47.29 -42.29 20.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.117 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.07 -48.56 61.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 71.41 111.085 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.4 -40.68 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 61.42 111.131 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.6 mt -58.23 -67.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 71.03 110.846 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.436 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 30.2 m-85 -56.14 -32.43 64.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 65.32 110.957 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.18 83.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 74.34 111.061 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.472 HG21 ' CE1' ' A' ' 110' ' ' TYR . 68.9 t -76.02 -44.49 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 72.45 111.079 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -51.49 -46.63 63.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 53.21 110.946 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.711 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.82 -30.12 56.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 62.23 110.909 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.06 -31.39 30.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 73.11 111.073 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.6 t -76.17 -28.46 57.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 65.23 110.895 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -73.36 -46.85 46.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 70.13 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -75.68 -5.16 44.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 63.43 110.867 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.97 11.77 58.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 71.12 112.446 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 m -97.53 173.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 61.21 111.141 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -138.23 148.5 44.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.943 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.635 ' O ' HG23 ' A' ' 74' ' ' ILE . 5.6 pt -100.04 -178.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 73.13 111.077 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 128.27 25.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.635 HG23 ' O ' ' A' ' 72' ' ' ILE . 24.6 pt -134.43 -171.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 64.25 111.151 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.55 -75.85 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.95 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -144.76 63.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 63.12 110.877 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -51.56 -52.96 42.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 72.52 110.841 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.767 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 0.1 OUTLIER 50.3 42.21 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 63.13 110.901 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.01 37.53 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 51.41 111.145 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.87 -76.92 0.4 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 44.21 112.476 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.94 -41.88 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 64.23 111.205 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.767 ' HB3' ' HA ' ' A' ' 78' ' ' TYR . . . -74.26 -23.31 59.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.23 111.124 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -55.3 27.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.908 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.578 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.15 -26.01 36.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.918 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.536 ' HB2' HG12 ' A' ' 115' ' ' VAL . . . -60.13 -19.55 54.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 52.24 111.07 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 82' ' ' ALA . 44.3 p -65.03 -20.33 66.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 62.4 111.103 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.24 72.84 0.54 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.699 -0.762 . . . . 71.11 112.471 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -99.83 -48.94 4.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 73.13 110.921 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.51 158.36 38.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.95 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 154.71 39.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 71.31 110.856 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.91 -17.0 55.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 63.45 111.09 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.58 -31.16 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.53 110.863 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.76 113.44 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 74.54 110.844 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -73.01 -172.04 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.925 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 71.3 -69.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 71.05 110.882 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -44.65 93.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 72.43 111.177 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -42.14 49.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 72.35 110.946 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.3 -35.91 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.069 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -54.19 -54.02 45.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.921 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.406 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -55.64 -29.05 58.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.23 111.133 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -49.96 20.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 61.2 110.902 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.626 ' CD1' HD13 ' A' ' 59' ' ' LEU . 59.6 mt -61.64 -18.11 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.925 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -66.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 65.25 110.858 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.47 -32.32 57.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 51.33 110.906 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -48.99 53.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 72.34 110.893 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -124.04 31.83 5.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 75.21 110.898 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 133.25 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 72.22 110.914 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.66 -19.63 0.69 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.652 -0.785 . . . . 63.44 112.399 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.1 -33.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 54.23 111.153 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.472 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.4 p90 -125.5 178.07 5.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 73.01 110.885 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -167.42 161.65 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.851 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -156.73 172.35 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.818 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -170.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 70.12 110.856 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -75.94 68.03 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 73.13 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.1 m -56.88 120.7 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.1 111.115 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -112.36 -75.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.889 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.578 ' N ' ' HE1' ' A' ' 84' ' ' TRP . . . -179.77 139.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 62.15 111.112 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -159.75 153.45 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.41 110.853 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -75.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 52.25 110.861 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 167.13 167.17 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 64.41 112.537 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -174.71 -161.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.744 0.307 . . . . 62.15 110.919 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.41 8.67 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.91 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -50.17 -36.94 32.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 73.12 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.819 ' O ' HG22 ' A' ' 127' ' ' VAL . 14.9 p-10 -76.56 -39.93 51.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.877 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.59 -24.56 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 63.1 110.859 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -59.72 -44.54 93.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.45 . . . . 70.33 110.877 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 124' ' ' ASN . 6.0 m -55.87 -21.2 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 72.31 111.18 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.14 -47.24 85.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 62.44 110.87 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 13.6 ttp -72.97 -44.54 60.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -53.68 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.01 110.889 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.06 -34.06 54.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 74.22 111.083 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -30.93 33.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.865 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.07 -37.53 38.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 75.54 110.801 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 6' ' ' GLU . . . -64.43 -42.87 95.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 71.41 111.094 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER -64.65 -49.97 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.11 110.926 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.6 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 120.49 82.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 74.1 112.556 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 41.1 mm -115.15 141.54 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 72.11 111.126 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 171.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.132 -0.485 . . . . 74.54 110.929 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.23 149.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 73.01 110.902 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.33 73.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 62.34 110.867 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -175.99 -174.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 54.22 110.923 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -166.04 97.83 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 72.03 110.871 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -174.63 170.77 3.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.882 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 62.96 103.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 75.31 110.833 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.15 124.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.823 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -137.8 -65.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.04 110.928 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.927 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.831 0.348 . . . . 65.45 110.783 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.85 159.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 52.43 110.896 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.51 139.63 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.874 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -106.86 20.08 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -94.47 159.85 14.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.107 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -179.35 50.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 63.23 110.872 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -131.87 -86.89 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.901 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -153.56 156.15 37.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 65.21 110.824 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.569 HG12 HG23 ' A' ' 11' ' ' THR . 47.4 t -100.75 139.37 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 75.44 111.076 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.603 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 33.7 t80 -72.62 78.27 1.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.905 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.616 ' O ' HG21 ' A' ' 127' ' ' VAL . 2.8 p -120.02 178.38 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 41.44 111.183 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.43 90.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 53.01 110.93 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.68 -93.63 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 65.34 112.504 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 p -176.99 -75.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 72.15 110.888 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.1 p90 179.48 172.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.96 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.0 p -141.68 109.93 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 73.5 111.123 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 69.69 -71.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 64.43 110.853 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.45 20.52 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 74.41 112.464 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.2 -176.25 3.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 62.54 110.903 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -110.81 134.44 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 60.23 110.985 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.627 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -121.01 171.93 8.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 61.33 111.031 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -155.7 130.49 9.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.647 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -129.75 175.65 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 62.41 111.141 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.31 171.27 20.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 63.2 110.924 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . . . -115.85 126.97 54.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 53.32 111.162 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -110.07 139.96 44.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 72.15 110.905 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.4 t -144.17 132.03 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 73.52 111.137 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.55 132.55 49.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 70.15 110.858 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 67.58 11.88 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 74.13 110.837 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.75 26.13 23.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 63.42 112.462 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.8 ptpt -149.47 162.36 40.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 75.41 110.88 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.51 120.9 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 70.24 111.152 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -107.71 -48.55 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.893 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.04 177.51 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.909 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.38 111.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.888 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.22 -176.93 1.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.934 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.647 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -155.69 172.67 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 72.34 111.089 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -153.98 168.35 26.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 55.35 110.914 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 21' ' ' ALA . 21.4 m -118.54 156.92 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.41 111.108 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.17 151.15 18.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.691 -0.766 . . . . 74.11 112.475 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 47.47 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 73.43 110.916 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -94.94 156.42 38.01 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 54.34 110.886 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -42.68 3.15 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.743 2.295 . . . . 75.41 112.306 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.63 -31.66 59.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 70.4 111.054 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.58 -52.05 10.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 13.52 111.082 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.99 -39.79 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 74.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -41.77 78.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 73.53 111.119 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.4 mmm -118.48 59.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 55.24 110.87 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.95 161.52 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.877 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.5 t30 72.38 -69.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.867 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 119' ' ' SER . 99.7 t -52.31 -46.4 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 70.32 111.114 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.89 -27.24 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.092 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.14 -51.63 42.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 72.02 112.431 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.67 -43.1 72.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 74.14 110.898 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 51' ' ' VAL . 6.9 mt -73.77 -32.46 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 63.43 111.123 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.29 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 32.31 111.092 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.97 -47.21 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 52.1 111.059 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.64 -40.83 63.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.24 111.077 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.7 mt -56.91 -67.03 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.414 . . . . 75.21 110.892 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -57.39 -36.18 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 65.34 110.952 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.54 -38.58 78.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 70.03 111.078 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 58' ' ' ALA . 87.1 t -76.13 -45.29 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 61.53 111.089 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -51.93 -45.93 64.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.891 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 68' ' ' LEU . 8.6 mttt -76.29 -31.42 58.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.293 -0.412 . . . . 62.01 110.859 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.8 -31.77 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.34 111.133 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.475 ' HB2' HD12 ' A' ' 109' ' ' ILE . 6.5 t -76.3 -33.78 59.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 72.14 110.906 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -63.97 -40.53 96.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 54.44 110.903 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.3 mp -83.81 2.43 38.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.846 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.73 21.6 36.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 72.23 112.485 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 68' ' ' LEU . 5.6 m -112.01 -179.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 72.02 111.087 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.84 157.46 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.883 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.8 pt -99.57 179.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.45 111.177 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.3 126.06 45.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.471 HG22 ' CE2' ' A' ' 112' ' ' PHE . 2.5 pp -139.09 -35.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.41 111.129 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 74' ' ' ILE . 1.1 mm? -48.65 -74.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.939 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -92.71 44.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.85 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.458 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -91.17 -55.87 3.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 64.52 110.863 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 58.41 22.58 9.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.471 . . . . 34.1 110.915 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB2' ' OD2' ' A' ' 77' ' ' ASP . . . -70.07 174.19 5.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 74.44 111.16 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.95 -23.88 32.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 71.54 112.51 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.64 -46.35 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 75.12 111.139 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.645 ' HB2' ' HE1' ' A' ' 112' ' ' PHE . . . -71.86 -26.11 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 54.11 111.053 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -56.84 -56.56 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 75.44 110.928 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.95 -17.79 45.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 75.24 110.928 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.534 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -54.1 -24.16 16.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 54.02 111.162 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.5 p -64.27 -19.91 65.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 74.32 111.161 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.86 87.05 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.763 -0.732 . . . . 74.11 112.527 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -99.9 -51.03 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 52.2 110.867 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.08 140.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 61.11 110.897 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 88.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.23 110.873 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.57 -49.07 15.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.21 111.056 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -54.93 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.895 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 51.36 65.38 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 51.42 110.843 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -159.4 -74.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 75.1 110.88 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -101.57 -35.73 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.874 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.458 HG21 ' H ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.57 -34.81 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.217 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 15.4 mt-30 -65.0 -41.28 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.924 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.11 -32.95 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.35 111.145 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.444 ' HD1' HD21 ' A' ' 59' ' ' LEU . 74.1 t80 -53.51 -54.48 36.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.919 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -54.47 -30.53 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 64.33 111.041 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -74.64 -45.53 44.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 64.52 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.527 ' CD1' HD13 ' A' ' 59' ' ' LEU . 85.9 mt -66.93 -22.52 65.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.899 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.8 ttt -55.34 -67.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 54.51 110.877 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.84 -30.34 61.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.85 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -43.95 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.919 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.99 36.82 3.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.9 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 162.76 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.953 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.32 -51.87 0.81 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 62.42 112.462 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -76.87 -27.76 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 72.22 111.139 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -128.93 177.53 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.971 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 m -155.51 161.72 40.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 74.05 110.846 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.645 ' HE1' ' HB2' ' A' ' 82' ' ' ALA . 1.6 m-85 -170.51 170.5 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.43 110.838 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.46 172.48 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 71.32 110.912 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -70.03 83.34 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 70.4 110.871 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 100' ' ' ALA . 3.8 m -62.33 149.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 63.22 111.098 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -129.27 -73.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 63.15 110.922 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.424 ' HB2' ' HG2' ' A' ' 97' ' ' GLN . . . 178.23 97.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 62.14 111.096 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.458 ' H ' HG21 ' A' ' 96' ' ' THR . 19.7 t-80 -176.26 152.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 63.25 110.847 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.642 ' HB3' HG13 ' A' ' 51' ' ' VAL . 1.3 m -177.12 160.09 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.01 110.916 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.37 82.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 53.12 112.484 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -179.84 177.0 0.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.754 0.311 . . . . 73.33 110.909 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -95.28 3.62 54.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 65.24 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -52.15 -29.56 22.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.792 ' O ' HG22 ' A' ' 127' ' ' VAL . 5.3 p-10 -77.07 -49.44 15.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 70.14 110.879 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.87 -24.13 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 63.34 110.871 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -52.07 -28.93 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.971 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.792 HG22 ' O ' ' A' ' 124' ' ' ASN . 22.1 m -57.4 -20.24 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 64.43 111.144 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -59.08 -52.82 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.826 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -40.43 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.891 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -53.33 59.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 71.33 110.976 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.92 -34.39 55.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 54.44 111.111 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -52.57 -39.09 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 71.23 110.88 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -32.38 44.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 75.12 110.822 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.91 74.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 33.43 111.093 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -83.13 -46.94 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 55.13 110.95 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.586 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 117.65 88.45 1.3 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.758 -0.734 . . . . 35.54 112.501 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 42.4 mm -115.74 144.04 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 63.05 111.135 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 171.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 72.13 110.888 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.27 -179.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 63.22 110.835 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.17 -175.35 5.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.3 110.914 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -54.24 127.38 26.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 54.33 110.93 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -167.94 146.64 4.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.882 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -164.61 98.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.899 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -175.44 133.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 73.2 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -170.44 30.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 73.21 110.904 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 55.45 -174.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.83 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 74.42 110.926 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.352 . . . . 74.11 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.63 179.06 8.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 73.24 110.85 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -142.55 -170.81 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.854 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -116.14 23.13 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.12 110.945 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 p -62.74 149.74 43.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 53.51 111.146 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.11 -53.67 6.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.878 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 179.61 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.91 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -82.73 165.12 20.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.862 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.654 HG12 HG23 ' A' ' 11' ' ' THR . 67.8 t -111.43 142.96 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.12 111.151 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.34 79.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.2 110.904 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.654 HG23 HG12 ' A' ' 9' ' ' VAL . 24.0 p -122.53 178.76 4.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 74.34 111.17 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.73 85.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 61.45 110.856 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.92 85.79 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 42.12 112.473 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.39 141.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 74.23 110.808 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -179.34 161.67 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.501 . . . . 73.05 110.971 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.7 p -135.51 115.55 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 65.22 111.14 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 70.35 -70.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 71.03 110.84 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.24 22.43 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 50.13 112.515 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.98 -177.91 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 72.15 110.904 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -109.82 134.59 51.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 70.11 110.879 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.979 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -134.2 173.13 11.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 55.33 111.09 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 -144.13 130.41 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.901 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -138.11 132.68 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 72.51 111.086 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -136.58 144.89 44.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.963 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.31 129.3 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 33.4 111.085 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE2' HD11 ' A' ' 68' ' ' LEU . 2.0 m-85 -117.32 128.14 54.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.54 110.833 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -150.46 109.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.51 111.167 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 142.77 47.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.873 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t0 73.72 6.73 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.843 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.01 26.7 28.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 71.44 112.491 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -149.92 162.68 39.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 72.24 110.833 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.96 114.36 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 63.21 111.112 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -95.79 -39.55 9.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 72.51 110.837 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 -179.19 5.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.87 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.14 -177.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 73.1 110.875 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.39 164.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 64.23 110.866 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 23' ' ' ALA . . . -128.66 -173.51 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.12 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -153.38 156.77 38.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 51.35 110.897 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.979 HG12 ' HB2' ' A' ' 21' ' ' ALA . 25.7 m -112.47 172.74 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 54.32 111.074 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.63 -152.38 10.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.796 -0.716 . . . . 72.31 112.51 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 34.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 73.12 110.933 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.95 151.88 38.02 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.629 0.728 . . . . 75.41 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.91 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 64.11 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.84 -24.85 62.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 72.42 111.12 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.18 -57.15 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 51.43 111.144 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.12 -38.82 71.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 44.12 111.126 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -57.87 -24.38 57.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 62.01 111.162 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.1 mtp -95.15 17.67 13.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.846 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 69.85 -73.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.845 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -162.74 22.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 62.4 110.947 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 48' ' ' MET . 32.4 t -74.4 -50.88 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.097 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.516 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -63.65 -40.59 97.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 72.21 111.046 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.04 -24.46 35.24 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.798 -0.715 . . . . 54.2 112.484 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -73.46 -54.42 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 75.43 110.934 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.477 HG21 ' CG ' ' A' ' 99' ' ' TYR . 10.9 mt -69.51 -31.62 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.1 111.115 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.66 -31.93 7.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 70.31 111.067 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.62 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 64.43 111.106 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.6 -31.69 37.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 74.44 111.062 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.54 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.3 mt -61.68 -67.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 60.32 110.932 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.27 -30.56 66.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.96 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -59.63 -40.23 86.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 72.23 111.13 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.481 HG21 ' CE1' ' A' ' 110' ' ' TYR . 91.7 t -76.17 -45.29 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.127 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -53.51 -48.14 69.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.904 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.708 ' O ' HD12 ' A' ' 68' ' ' LEU . 15.5 mmtt -76.85 -30.63 56.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 74.41 110.927 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -51.93 -35.33 45.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 61.44 111.056 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.422 ' HB2' HD12 ' A' ' 109' ' ' ILE . 4.1 t -70.34 -28.48 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 71.21 110.845 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -73.93 -39.88 63.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 64.34 110.941 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -86.47 -6.64 58.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.13 35.18 41.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 53.42 112.513 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 68' ' ' LEU . 22.9 m -107.91 -32.65 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 65.22 111.094 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.87 -169.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 73.52 110.863 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 pt -142.42 179.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.31 111.097 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 127.97 31.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.857 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.5 pt -100.68 153.58 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.24 111.139 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.9 mt 65.52 -168.19 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 73.15 110.945 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -49.83 121.2 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 72.43 110.848 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 79' ' ' ALA . 18.4 p-10 -110.43 12.45 23.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 75.15 110.911 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 54.35 25.71 6.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 44.11 110.989 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 77' ' ' ASP . . . -112.71 -169.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 73.33 111.113 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.99 -14.62 73.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 41.13 112.543 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.1 mm -80.08 -45.91 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 72.53 111.113 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.688 ' O ' HG23 ' A' ' 86' ' ' THR . . . -74.66 -35.91 62.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 51.51 111.075 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.7 -48.57 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.54 110.844 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.428 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -80.58 -30.09 36.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.1 110.914 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.03 -14.27 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 43.42 111.101 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 82' ' ' ALA . 62.3 p -64.14 -23.42 67.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 62.23 111.205 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 65.3 67.73 1.92 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 51.03 112.477 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -99.97 -24.72 14.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 74.45 110.818 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -123.51 159.38 29.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.954 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.58 153.98 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 74.03 110.907 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.859 ' HA ' ' HB3' ' A' ' 117' ' ' ALA . . . -76.77 -4.36 43.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.52 111.111 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.47 2.0 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 65.03 110.923 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.42 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 43.15 110.898 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -132.6 -165.02 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 62.41 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -83.46 8.22 14.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 72.53 110.897 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -24.46 11.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.11 111.135 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -47.32 -50.19 22.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.32 83.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.176 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.516 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 10.9 m-85 -54.37 -42.09 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.926 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -65.95 -28.1 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 62.24 111.055 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -73.95 -47.61 36.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.14 110.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.54 ' CD1' HD13 ' A' ' 59' ' ' LEU . 71.4 mt -54.9 -21.48 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 63.15 110.97 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -66.26 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 63.34 110.879 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -53.27 -32.63 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.929 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -49.13 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 73.1 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -121.5 31.02 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 64.54 110.877 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.94 130.14 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 70.43 110.872 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.05 -21.22 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 71.25 112.555 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.21 -33.82 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.797 0.332 . . . . 63.3 111.067 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.481 ' CE1' HG21 ' A' ' 62' ' ' VAL . 6.3 p90 -120.56 178.25 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 70.41 110.945 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.43 156.13 37.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 75.02 110.902 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -164.61 167.67 18.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 62.5 110.835 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -176.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.961 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 81.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 71.2 110.891 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.458 HG23 ' HB1' ' A' ' 100' ' ' ALA . 5.8 m -64.02 131.86 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 70.21 111.111 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.8 mmtt -145.44 -79.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.848 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.859 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . . . 177.93 119.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 75.31 111.053 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -147.28 -78.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 54.5 110.851 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 p 178.64 -175.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 62.23 110.912 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 169.26 137.39 2.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.805 -0.712 . . . . 72.45 112.509 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.32 -75.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.793 0.33 . . . . 73.24 110.877 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -84.0 -31.42 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.879 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -51.02 -35.65 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 62.31 110.878 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.83 ' O ' HG22 ' A' ' 127' ' ' VAL . 0.3 OUTLIER -76.28 -42.39 45.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.862 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -51.55 -24.22 5.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 71.41 110.923 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -51.79 -34.7 41.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 73.53 110.924 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 124' ' ' ASN . 28.6 m -56.46 -23.47 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 71.23 111.082 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -56.1 -51.66 67.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.88 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -49.21 37.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.945 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -36.19 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.869 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.71 64.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 55.35 111.164 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -51.87 -32.49 32.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 72.23 110.888 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.2 t -77.63 -32.31 53.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 60.45 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.88 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 64.05 111.081 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.84 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 53.13 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 137.54 38.19 0.14 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 72.12 112.463 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.3 mm -64.98 -27.45 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 72.32 111.164 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 64.62 119.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 72.43 110.892 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.53 -177.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.926 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.8 178.26 10.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 72.15 110.856 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.33 -175.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 55.41 110.926 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -163.57 80.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 64.12 110.881 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.14 114.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.856 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 103.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 65.13 110.92 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -179.17 63.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 62.32 110.858 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -110.61 132.27 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 73.51 110.877 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.824 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.766 0.317 . . . . 73.33 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -169.1 132.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 74.05 110.864 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -136.3 -168.67 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.54 110.843 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -149.73 18.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.859 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.6 p -80.01 179.67 7.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.46 . . . . 73.14 111.151 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -174.4 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -51.77 163.89 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.911 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.49 155.16 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.956 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.738 HG12 HG23 ' A' ' 11' ' ' THR . 62.5 t -90.59 143.12 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 64.02 111.103 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -70.65 78.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.764 ' O ' HG21 ' A' ' 127' ' ' VAL . 39.5 p -130.65 178.19 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 54.52 111.129 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.31 94.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.899 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.06 -158.08 30.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.807 -0.711 . . . . 72.32 112.562 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p 65.63 149.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 71.34 110.899 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -179.47 137.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.966 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.66 122.5 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 45.21 111.126 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 t30 62.28 -82.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 72.13 110.905 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.37 22.03 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 61.51 112.47 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 -178.02 4.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 70.12 110.925 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -133.14 134.59 44.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.969 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.74 165.52 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 52.1 111.14 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.443 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 10.7 p90 -130.47 154.28 47.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 72.11 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.538 ' O ' HG22 ' A' ' 11' ' ' THR . . . -150.42 160.84 43.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 61.54 111.014 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.436 ' HB3' HG22 ' A' ' 11' ' ' THR . 1.4 p90 -159.54 150.61 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.916 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.51 125.84 48.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 72.02 111.079 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.3 m-85 -109.08 140.28 42.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 63.41 110.932 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.4 t -143.54 126.3 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 51.13 111.209 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -123.81 137.55 54.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 73.32 110.864 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.46 13.03 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 55.42 110.869 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.31 15.89 58.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 71.22 112.482 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -138.85 166.0 25.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.745 0.307 . . . . 73.31 110.949 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.63 121.63 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 73.42 111.121 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -107.67 -51.71 2.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 71.52 110.86 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.1 172.45 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.24 110.921 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.98 111.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 71.33 110.842 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -178.6 162.4 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.859 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 22' ' ' TRP . . . -132.19 166.87 20.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 41.42 111.124 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -135.91 145.3 46.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 64.44 110.867 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.3 t -110.2 155.5 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 64.13 111.105 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -111.88 -162.96 16.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 64.33 112.505 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.23 44.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 51.02 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -108.75 155.66 40.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 75.44 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.4 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.244 . . . . 65.4 112.325 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.48 ' HB1' ' CD1' ' A' ' 95' ' ' PHE . . . -54.02 -27.28 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 70.24 111.095 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.2 -52.68 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 43.13 111.083 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.7 -24.07 46.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 72.13 111.039 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.495 HG21 ' CZ ' ' A' ' 95' ' ' PHE . 11.6 t -70.63 -9.95 58.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 74.51 111.143 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.35 25.49 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 72.25 110.872 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 64.31 -82.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 53.5 110.887 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -153.78 19.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 43.24 110.897 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.46 -40.58 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 63.44 111.127 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.623 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -76.36 -24.21 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 54.11 111.081 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.6 -20.52 78.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 74.13 112.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.15 -36.46 66.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 75.44 110.928 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.541 HD13 ' CD2' ' A' ' 99' ' ' TYR . 5.5 mt -76.45 -31.43 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 63.13 111.043 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.401 ' HA ' ' HG ' ' A' ' 59' ' ' LEU . . . -48.68 -31.49 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 63.43 111.1 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.29 -53.29 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.107 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.65 -38.16 59.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 53.02 111.09 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 102' ' ' LEU . 10.0 mt -52.47 -67.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.911 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -65.85 -34.07 77.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 45.14 110.879 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.04 -41.45 75.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 44.53 111.15 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 58' ' ' ALA . 87.0 t -76.45 -47.24 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.18 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -51.06 -49.68 60.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 63.14 110.924 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.719 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -70.67 -28.5 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 61.31 110.909 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . -52.72 -32.78 44.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 72.1 111.114 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.421 ' HB2' HD12 ' A' ' 109' ' ' ILE . 5.6 t -75.9 -28.58 58.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.869 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.21 -41.1 74.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 60.14 110.948 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.5 mp -81.08 -0.49 40.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 61.14 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.75 23.58 58.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.799 -0.715 . . . . 44.55 112.505 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 68' ' ' LEU . 7.4 m -111.4 -172.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 62.14 111.135 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -138.35 149.77 45.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 53.45 110.942 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.7 pt -100.39 -178.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 41.21 111.124 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.08 145.64 12.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 73.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.4 tt -125.72 -43.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 62.23 111.133 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.77 -177.4 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.896 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.11 21.91 8.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.878 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -120.56 118.45 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 54.45 110.823 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -93.84 33.66 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 64.4 110.898 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.4 -169.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 61.13 111.1 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -80.96 -31.81 34.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.798 -0.715 . . . . 64.43 112.497 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.575 HG21 ' CD2' ' A' ' 112' ' ' PHE . 1.8 mp -57.26 -45.98 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 71.35 111.126 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.463 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . . . -76.91 -8.17 56.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.23 111.12 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -79.29 -56.16 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -19.38 42.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.978 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.557 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -54.3 -36.92 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 42.24 111.171 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.8 p -89.53 12.95 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 50.15 111.141 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.66 81.21 0.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 71.52 112.43 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.84 -29.39 19.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 73.01 110.874 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -76.45 125.66 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.94 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -107.96 95.99 6.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 72.02 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.7 -44.5 33.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 32.34 111.116 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -84.22 -53.65 5.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.7 p30 41.64 39.75 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 65.34 110.839 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -136.69 -47.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 60.21 110.977 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.495 ' CZ ' HG21 ' A' ' 47' ' ' THR . 10.3 m-85 -104.08 -57.69 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 62.3 110.889 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.475 HG21 ' H ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.56 -32.42 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 63.53 111.187 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -52.42 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.15 110.848 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.87 73.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 24.41 111.126 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.623 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 20.3 m-85 -53.11 -44.68 67.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.939 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.489 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -63.02 -31.64 72.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.512 . . . . 62.33 111.068 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -74.66 -44.67 49.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 63.53 110.879 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 59' ' ' LEU . 3.7 mt -54.26 -21.29 8.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.883 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -66.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -53.88 -30.65 46.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 75.53 110.865 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.32 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 54.42 110.905 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.43 ' CD1' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -115.57 25.74 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.915 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -76.68 126.71 31.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 74.14 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 159.0 -22.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 55.0 112.521 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.421 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -107.89 -33.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 71.41 111.079 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -117.48 178.23 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.891 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.2 t -148.92 161.35 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 44.21 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.575 ' CD2' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -176.2 173.02 2.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 73.35 110.884 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.06 164.89 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 73.25 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -51.59 148.65 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 70.24 110.953 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -132.54 137.11 54.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 65.32 111.105 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -113.93 -78.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.941 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 178.57 119.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.042 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.475 ' H ' HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER 178.6 155.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.829 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 p -179.7 -175.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 63.33 110.784 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 103.2 71.69 0.88 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 60.22 112.469 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.82 -167.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.311 . . . . 72.51 110.887 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.59 11.84 30.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.33 110.858 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -49.52 -28.66 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.757 ' O ' HG22 ' A' ' 127' ' ' VAL . 8.0 p30 -75.52 -41.65 54.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.77 -24.52 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 71.52 110.871 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.42 -38.76 59.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 75.33 110.929 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.764 HG21 ' O ' ' A' ' 11' ' ' THR . 22.0 m -56.19 -22.05 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 62.33 111.098 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -50.03 73.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 64.5 110.817 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 11.6 ttp -72.34 -42.21 65.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 44.13 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -54.06 48.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.45 110.867 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.46 -34.14 56.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.1 111.109 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.48 -31.38 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.885 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.7 m -75.23 -35.56 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 65.02 110.784 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.59 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 71.53 111.121 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.0 mt -74.67 -61.32 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.952 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 130.09 39.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 73.24 112.515 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.5 mm -71.88 153.03 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 70.01 111.168 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.04 165.94 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 71.1 110.855 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.75 -171.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.886 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 141' ' ' GLU . 0.1 OUTLIER -111.89 -178.06 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 62.5 110.941 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.544 ' H ' HD23 ' A' ' 140' ' ' LEU . 1.5 mm-40 -68.69 -74.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 75.21 110.866 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.35 161.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 53.31 110.84 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -179.24 88.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.846 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -133.13 146.16 51.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.819 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -177.92 147.4 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 63.45 110.878 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.76 154.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.85 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 12.8 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 65.23 110.806 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mtp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.783 0.325 . . . . 73.14 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -107.17 166.4 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 60.04 110.865 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -135.68 -168.78 2.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.895 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -162.95 32.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.883 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 p -49.93 155.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 60.4 111.146 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 2.0 mm-40 -51.27 -72.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.949 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -167.98 -67.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.13 110.911 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -92.74 155.62 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 63.21 110.896 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.08 143.31 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 62.45 111.102 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' HB2' ' HB1' ' A' ' 131' ' ' ALA . 69.6 t80 -70.24 79.19 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 73.45 110.928 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.795 HG22 ' HB1' ' A' ' 57' ' ' ALA . 1.4 p -117.07 178.53 4.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 70.03 111.144 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 51.74 30.36 6.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 61.21 110.87 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -135.72 79.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 61.12 112.447 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.566 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 17.7 p -179.32 104.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.846 0.355 . . . . 65.12 110.839 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -162.39 164.29 27.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.934 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.55 123.05 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 72.21 111.129 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 t30 62.56 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 61.53 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.44 18.4 1.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 75.34 112.458 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -90.78 -175.79 4.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.876 0.369 . . . . 74.21 110.932 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -137.0 134.52 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 72.22 110.957 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.74 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -136.73 156.52 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.15 111.116 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 70.4 p-90 -123.57 130.36 52.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.911 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.663 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -159.98 145.61 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.15 111.181 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 61' ' ' ALA . 4.9 p90 -137.29 175.35 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 64.45 110.951 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.57 146.92 26.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 63.34 111.084 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.78 140.17 51.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.802 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 31' ' ' LYS . 6.0 t -151.48 133.52 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 45.13 111.124 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -128.65 135.3 49.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 71.43 110.897 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.52 12.18 8.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.888 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.75 22.79 35.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 51.54 112.508 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.9 ptpt -149.76 159.26 44.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.808 0.337 . . . . 74.5 110.956 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -54.94 129.15 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.13 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -105.56 -53.15 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.783 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -130.09 -173.9 3.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 63.35 110.959 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.34 107.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 75.43 110.857 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.47 -177.98 1.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.903 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB1' ' HB2' ' A' ' 23' ' ' ALA . . . -168.95 -175.37 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 73.15 111.111 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.95 151.57 23.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.892 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.74 HG13 ' HB2' ' A' ' 21' ' ' ALA . 22.5 t -118.78 155.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 71.14 111.097 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -114.08 162.5 12.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 31.33 112.456 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 42.39 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 74.45 110.94 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -92.55 154.77 42.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 55.1 110.908 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' O ' HG22 ' A' ' 47' ' ' THR . 53.9 Cg_endo -69.75 -48.49 0.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.722 2.281 . . . . 72.2 112.384 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HB1' ' CE2' ' A' ' 95' ' ' PHE . . . -57.67 -24.49 56.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 62.22 111.064 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.87 -48.5 6.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 74.54 111.105 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.48 62.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 61.21 111.11 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 43' ' ' PRO . 3.0 t -58.27 -21.79 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.22 111.107 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.88 21.25 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 65.52 110.823 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 66.24 -77.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 53.24 110.915 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -159.56 22.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 73.45 110.913 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -73.52 -51.05 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 72.34 111.1 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB1' ' OH ' ' A' ' 99' ' ' TYR . . . -58.38 -27.41 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 53.55 111.109 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.21 -20.75 78.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 74.33 112.475 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -70.27 -54.92 10.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.852 0.358 . . . . 73.32 110.874 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.5 HG22 HD21 ' A' ' 59' ' ' LEU . 5.6 mt -67.32 -31.31 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 75.12 111.222 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.61 -50.52 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.53 111.118 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.795 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -50.44 -53.35 30.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.091 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -51.94 -32.37 32.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 75.4 111.156 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.5 HD21 HG22 ' A' ' 55' ' ' ILE . 6.2 mt -66.29 -67.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.933 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.431 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 32.6 m-85 -58.33 -26.23 62.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 73.15 110.973 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . . . -66.6 -38.47 87.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 61.22 111.085 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 58' ' ' ALA . 96.6 t -76.28 -36.77 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 45.11 111.162 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -60.24 -45.37 93.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.905 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.753 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.1 tptt -75.94 -30.24 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 72.31 110.962 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.07 -36.82 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 75.43 111.126 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.416 ' HB2' HD12 ' A' ' 109' ' ' ILE . 7.2 t -71.15 -28.79 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.816 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -73.14 -47.69 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.51 110.946 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 64' ' ' LYS . 2.2 mp -73.78 -7.73 53.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.924 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.93 25.53 72.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 72.4 112.449 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 m -110.24 -171.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 74.13 111.187 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -133.27 -179.55 5.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.879 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.5 pt -142.13 -179.38 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 72.33 111.119 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 143.03 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.883 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.653 HG22 ' H ' ' A' ' 111' ' ' SER . 10.1 pt -133.63 -39.92 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 65.42 111.153 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -47.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 73.32 110.914 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -73.47 76.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.14 110.882 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -175.68 117.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 62.22 110.812 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.74 27.52 3.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 71.32 110.938 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.28 -179.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 74.43 111.08 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.74 -11.0 72.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.757 . . . . 73.24 112.485 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.651 HG21 ' CD2' ' A' ' 112' ' ' PHE . 1.8 mp -61.42 -46.44 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.359 . . . . 72.15 111.126 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.28 -5.77 55.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 63.11 111.143 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -85.56 -55.24 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 72.04 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -21.67 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 74.35 110.905 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -48.29 -31.66 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 44.14 111.087 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.4 p -67.15 -41.88 85.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 62.13 111.137 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.16 105.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 71.14 112.502 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -100.16 -62.82 1.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 72.42 110.863 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.55 159.13 16.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.155 -0.475 . . . . 61.34 110.91 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -67.2 86.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.925 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.526 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . . . -80.51 1.01 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 71.55 111.105 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -47.1 -27.8 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 61.14 110.818 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -102.73 68.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.895 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -153.01 -84.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 72.02 110.857 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER 172.74 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 64.22 110.892 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -26.49 9.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 62.02 111.076 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -45.37 46.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 74.13 110.929 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.7 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 71.42 111.087 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.513 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 21.1 m-30 -53.94 -38.09 64.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.965 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.4 67.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 61.13 111.075 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -74.18 -45.47 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.44 110.907 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 59' ' ' LEU . 8.4 mt -52.0 -23.38 5.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 63.13 110.901 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.1 ttp -51.97 -66.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 63.22 110.847 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.87 -31.36 59.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 64.34 110.875 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -40.9 41.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.961 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -134.15 32.55 3.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.881 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 127.41 32.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.873 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.21 -22.19 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 65.31 112.457 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -104.0 -31.67 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 51.21 111.103 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -120.67 177.64 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.955 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.653 ' H ' HG22 ' A' ' 74' ' ' ILE . 1.3 m -154.15 161.13 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.848 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.651 ' CD2' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -176.48 171.21 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 75.5 110.844 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 163.87 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 54.21 110.913 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.582 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -50.75 132.04 26.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.894 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.63 123.9 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.118 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 11.1 mttt -107.75 -78.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 70.01 110.932 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.526 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . . . 177.96 153.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 75.55 111.093 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.82 -168.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.783 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 m -92.53 -169.06 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 24.11 110.846 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.23 -170.59 46.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 50.11 112.509 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.89 -177.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 71.03 110.924 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -98.71 -7.48 27.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.941 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -54.13 -29.55 45.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 74.01 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.74 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.7 p30 -71.56 -36.3 70.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 64.44 110.844 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.51 -25.0 50.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 71.51 110.804 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.8 -35.77 57.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 65.43 110.936 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 124' ' ' ASN . 21.8 m -56.09 -21.12 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 72.34 111.105 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -60.6 -49.79 76.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 75.33 110.868 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttm -72.64 -40.66 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 74.2 110.867 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -54.52 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 71.01 110.951 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -53.74 -34.93 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 53.13 111.122 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -52.29 -35.28 49.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 65.5 110.88 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 62.9 m -72.2 -32.25 66.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 60.21 110.869 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . -64.14 -42.8 96.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 74.21 111.069 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER -71.3 -50.38 33.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.924 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.611 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 125.53 85.53 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 74.52 112.47 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.493 HD11 HD22 ' A' ' 135' ' ' LEU . 30.0 mm -121.61 147.06 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.35 . . . . 75.32 111.173 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -59.59 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 65.25 110.852 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -179.23 170.47 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.89 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.41 85.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 60.03 110.848 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -52.09 159.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.76 -44.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.932 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.52 -179.47 7.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.883 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -172.48 -177.76 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 64.33 110.815 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.73 -173.82 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 71.01 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -152.54 26.21 0.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.832 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 61.12 110.854 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.768 0.318 . . . . 71.54 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.98 154.71 40.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 71.04 110.867 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -135.2 -168.57 2.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 73.2 110.877 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -159.52 26.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.861 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -59.07 150.42 24.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 73.34 111.126 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 1.6 mm-40 -51.34 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.473 . . . . 72.11 110.939 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -179.15 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.938 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 1.1 t0 -63.41 134.2 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 71.03 110.866 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 11' ' ' THR . 55.4 t -91.47 141.35 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 71.13 111.081 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -68.69 85.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 73.14 110.936 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.586 ' O ' HG21 ' A' ' 127' ' ' VAL . 8.8 p -128.24 178.4 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 74.14 111.198 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER 52.37 88.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 61.52 110.855 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.34 86.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.757 . . . . 72.3 112.446 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.33 126.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.996 0.427 . . . . 52.32 110.8 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -179.23 156.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.954 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.7 p -137.67 116.05 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 73.14 111.143 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 70.53 -70.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 65.44 110.829 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.02 20.69 0.36 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.695 -0.764 . . . . 64.13 112.447 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.53 -179.17 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 64.13 110.959 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -136.81 134.78 37.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 64.05 110.937 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.731 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -136.75 158.86 43.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.34 111.153 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -124.92 130.11 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 74.3 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.1 136.8 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 55.33 111.096 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.7 p90 -128.25 178.51 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 62.35 110.909 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' H ' HG13 ' A' ' 9' ' ' VAL . . . -105.74 146.29 30.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 61.22 111.135 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.41 140.76 35.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 72.12 110.895 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 31' ' ' LYS . 12.8 t -150.23 135.06 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 55.31 111.156 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -128.15 133.88 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 71.15 110.855 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t0 69.04 10.48 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.852 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.42 20.75 34.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 55.13 112.522 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.6 ptpt -149.61 155.08 39.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 51.4 110.869 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.06 108.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 71.32 111.125 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -68.9 -59.4 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 62.21 110.85 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -142.21 175.18 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.886 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.61 118.88 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 74.01 110.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.74 142.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.833 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.94 -168.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 72.32 111.109 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -156.63 153.95 29.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.877 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.731 HG13 ' HB2' ' A' ' 21' ' ' ALA . 21.5 t -125.07 155.42 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.14 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -126.71 157.79 20.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 52.43 112.45 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.14 31.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.756 0.312 . . . . 61.42 110.857 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -77.8 154.64 80.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.556 0.693 . . . . 73.23 110.866 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' O ' HG22 ' A' ' 47' ' ' THR . 53.6 Cg_endo -69.83 -47.93 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.685 2.256 . . . . 62.53 112.371 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.65 -27.09 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 61.15 111.052 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.34 -45.29 8.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 70.41 111.182 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.97 -36.98 65.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 72.42 111.166 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 43' ' ' PRO . 4.2 t -63.62 -16.46 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.13 111.146 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.52 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.1 mtm -107.7 18.92 20.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 52.3 110.857 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 63.99 -83.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 64.12 110.829 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -148.45 15.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 73.53 110.913 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 48' ' ' MET . 21.4 t -73.19 -30.83 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.225 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB2' ' HE2' ' A' ' 48' ' ' MET . . . -75.87 -52.08 11.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 60.43 111.095 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.32 -20.74 37.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 63.42 112.55 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 12' ' ' ASP . 33.8 mt-10 -72.44 -54.96 7.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.778 0.323 . . . . 65.22 110.847 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mt -74.14 -32.32 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.01 111.095 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HA ' ' HG ' ' A' ' 59' ' ' LEU . . . -51.31 -33.54 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.095 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.63 83.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 72.3 111.061 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -51.64 -31.92 27.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.14 111.155 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.639 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.7 mt -65.24 -60.56 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 64.02 110.969 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -61.49 -34.34 75.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 71.3 110.924 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -62.42 -38.77 90.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.0 111.055 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 58' ' ' ALA . 54.0 t -76.25 -45.71 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 64.02 111.158 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -53.17 -46.86 69.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.924 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.773 ' O ' HD12 ' A' ' 68' ' ' LEU . 8.7 mmtt -77.26 -32.37 55.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.903 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -50.83 -37.61 44.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.123 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB2' HD12 ' A' ' 109' ' ' ILE . 11.1 t -70.78 -28.78 64.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.843 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -74.87 -45.63 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.773 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.6 mp -76.58 -4.72 44.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.965 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.9 19.27 73.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.69 -0.766 . . . . 75.45 112.567 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 m -110.27 157.87 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 71.4 111.133 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.92 -169.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.852 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 74' ' ' ILE . 7.9 pt -145.07 -179.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.2 111.145 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.87 126.33 21.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.872 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.469 HG23 ' O ' ' A' ' 72' ' ' ILE . 39.9 pt -121.59 -175.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 61.42 111.185 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 tp 50.85 -167.15 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.832 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -50.31 103.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 75.45 110.907 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 53.8 t0 -95.74 126.61 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 72.43 110.878 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.19 -11.12 60.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 64.34 110.982 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . . . -56.5 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 62.33 111.074 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.94 -20.76 72.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 30.13 112.517 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 mm -58.71 -20.44 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 72.43 111.177 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 86' ' ' THR . . . -70.5 -36.14 73.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.11 111.165 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -71.92 -39.44 69.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.04 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.513 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 2.4 t90 -78.15 -39.11 42.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.889 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.39 -29.66 16.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 70.32 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 82' ' ' ALA . 19.8 p -68.81 -42.49 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.13 111.086 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.42 86.76 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.741 -0.742 . . . . 75.24 112.442 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.19 -62.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 72.33 110.904 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -95.14 159.3 15.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 64.12 110.928 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -66.59 86.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 73.53 110.942 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.649 ' HB1' ' HB2' ' A' ' 118' ' ' HIS . . . -80.69 0.57 33.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 75.12 111.08 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -48.3 -27.32 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 53.34 110.848 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -50.62 -29.47 11.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.87 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -83.27 -169.82 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.865 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -99.51 -10.73 21.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 64.25 110.918 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -53.2 -26.91 19.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 65.51 111.095 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -52.46 30.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 74.51 110.873 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.4 -42.56 64.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 73.4 111.101 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -52.74 -36.18 57.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.25 110.96 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.602 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -72.05 -28.36 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 75.34 111.117 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -74.89 -42.33 58.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 71.1 110.858 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.639 ' CD1' HD13 ' A' ' 59' ' ' LEU . 56.6 mt -54.71 -22.24 13.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 62.54 110.896 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 ttp -51.31 -66.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 52.33 110.903 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -56.94 -29.52 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 70.05 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -48.19 62.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 74.52 110.934 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.423 ' OH ' HD22 ' A' ' 59' ' ' LEU . 1.6 p90 -127.07 36.31 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.926 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.09 163.57 27.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 71.44 110.904 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.47 -55.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.814 -0.708 . . . . 62.41 112.418 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.417 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -69.28 -31.31 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 72.44 111.122 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 62' ' ' VAL . 9.9 p90 -126.33 177.94 6.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.458 . . . . 71.24 110.946 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.451 ' H ' HG22 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -150.8 148.62 28.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 72.23 110.899 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -159.12 164.53 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 44.22 110.88 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.7 -176.16 6.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 62.5 110.95 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -50.67 161.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 51.11 110.928 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.602 HG23 ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -151.7 126.18 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 72.12 111.171 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.7 OUTLIER -102.88 -78.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 70.35 110.982 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.633 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . . . 175.82 165.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 52.03 111.093 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.649 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . 1.1 t-160 54.23 -166.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.873 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m 67.72 128.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.811 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 131.07 99.58 0.82 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.767 -0.73 . . . . 61.51 112.56 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.72 -68.35 0.61 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.74 0.305 . . . . 74.31 110.917 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -102.02 -33.91 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.935 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -51.26 -31.3 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 72.32 110.86 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.826 ' O ' HG22 ' A' ' 127' ' ' VAL . 0.6 OUTLIER -76.57 -42.49 42.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.888 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -24.31 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 55.35 110.854 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -51.66 -30.82 23.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.834 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 124' ' ' ASN . 18.0 m -56.0 -24.2 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 43.34 111.126 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -60.68 -49.6 76.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 72.31 110.82 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -44.82 62.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 74.01 110.86 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.51 80.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.819 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.74 -34.22 64.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 65.04 111.109 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -52.38 -40.0 61.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 70.32 110.999 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.3 m -57.57 -32.31 67.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 63.21 110.841 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . -53.28 -42.08 66.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.15 111.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.95 -60.87 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 72.12 110.952 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 142.39 39.16 0.07 OUTLIER Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.683 -0.77 . . . . 54.34 112.396 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.5 mm -71.35 151.32 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 71.24 111.124 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -169.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 70.2 110.911 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.26 -169.74 0.15 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 75.23 110.88 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tt 63.33 104.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 45.42 110.961 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -167.69 -170.14 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 72.32 110.826 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.58 165.9 22.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 75.45 110.896 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -161.41 179.33 8.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.13 110.789 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -175.35 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.891 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -127.62 -74.64 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 63.31 110.883 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -168.5 -178.82 3.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.921 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.769 0.319 . . . . 62.45 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.5 -174.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 74.54 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -135.33 -169.09 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.856 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -159.28 29.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.937 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 p -53.74 156.1 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 72.43 111.163 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -53.23 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 64.4 110.857 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -155.27 -76.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.904 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -85.78 155.6 20.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 60.32 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.11 143.14 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.53 111.104 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -69.77 80.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.906 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.605 ' O ' HG21 ' A' ' 127' ' ' VAL . 16.2 p -113.84 179.11 4.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 74.31 111.173 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.19 -169.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 70.4 110.849 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.3 68.67 1.46 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.749 -0.739 . . . . 54.32 112.499 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.403 ' C ' ' HB3' ' A' ' 21' ' ' ALA . 3.3 m -160.94 137.93 8.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.903 0.382 . . . . 74.51 110.875 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -179.23 165.55 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 71.03 110.857 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.5 p -136.16 115.41 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 72.44 111.118 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 70.38 -70.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 61.24 110.934 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.12 23.01 0.21 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.712 -0.756 . . . . 74.21 112.446 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -175.76 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 65.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -110.3 134.65 52.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 65.33 110.907 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.932 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -129.45 173.04 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 75.51 111.028 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -148.8 130.73 15.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.853 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' HB1' ' A' ' 57' ' ' ALA . . . -133.79 169.48 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 64.11 111.113 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.84 168.0 26.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.965 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.3 123.41 50.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 70.14 111.13 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.7 m-85 -109.39 136.81 48.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.9 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.8 t -143.86 129.33 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 53.41 111.135 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -124.6 136.02 53.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 73.42 110.952 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 66.88 12.84 9.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 52.12 110.865 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.89 23.98 33.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 42.1 112.425 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -149.44 159.33 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 63.23 110.916 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.32 122.37 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 21.13 111.129 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -107.64 -47.34 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.836 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -130.24 175.12 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.897 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -175.85 104.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 75.44 110.878 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.88 162.46 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 74.51 110.824 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.59 170.34 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 72.02 111.059 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.43 158.86 44.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 62.13 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.932 HG12 ' HB2' ' A' ' 21' ' ' ALA . 26.9 m -116.89 168.38 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.02 111.139 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.66 -156.22 16.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 64.11 112.425 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.78 33.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 74.21 110.881 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -94.61 154.32 40.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.586 0.708 . . . . 75.03 110.841 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -48.63 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.635 2.223 . . . . 72.1 112.326 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.92 -15.96 63.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 70.22 111.075 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.54 -23.06 15.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 70.41 111.185 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.54 -31.63 22.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.13 111.087 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.8 t -71.8 -18.19 62.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 63.32 111.143 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.624 ' O ' HG23 ' A' ' 51' ' ' VAL . 16.2 mmt -89.35 9.74 25.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.899 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.0 mtm-85 70.01 -72.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.918 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -161.33 21.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 62.3 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.733 ' O ' HD12 ' A' ' 55' ' ' ILE . 33.1 t -74.51 -42.87 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 72.01 111.152 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.65 -26.87 58.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 74.54 111.142 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -70.98 -51.74 17.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 54.44 112.483 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -53.16 -48.01 68.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 74.11 110.878 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 51' ' ' VAL . 5.5 mt -70.41 -31.19 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 65.32 111.162 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 53' ' ' GLY . . . -47.06 -44.73 21.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 51.22 111.079 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 23' ' ' ALA . . . -54.1 -51.2 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 74.41 111.125 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.3 -29.24 22.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 71.04 111.13 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.715 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.8 mt -70.4 -67.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 73.04 110.961 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -59.29 -22.22 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.858 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -67.43 -41.42 84.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.25 111.091 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 58' ' ' ALA . 96.5 t -76.05 -43.28 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.125 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -51.64 -49.69 61.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 74.02 110.85 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.746 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.7 mttt -76.9 -31.13 56.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.856 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.29 -33.38 41.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 53.2 111.142 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.3 t -75.57 -28.59 59.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.887 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -71.25 -41.87 69.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.7 mp -78.46 -2.27 37.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.33 110.927 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.94 59.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 61.24 112.497 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 m -100.78 174.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 72.31 111.151 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 149.29 45.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 64.23 110.974 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 pt -100.06 131.52 47.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 43.34 111.071 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.37 156.12 20.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 74.2 110.863 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 75' ' ' LEU . 6.6 tt -142.07 -47.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 64.32 111.112 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.425 ' N ' HG23 ' A' ' 74' ' ' ILE . 17.5 mt 51.1 -92.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.943 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -102.67 -63.36 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 73.1 110.865 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t0 57.87 172.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.821 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.83 17.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 61.2 110.899 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.9 164.39 4.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 64.44 111.088 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.8 -19.16 35.09 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.856 -0.688 . . . . 74.31 112.457 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 4.6 mp -68.89 -46.19 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 74.25 111.097 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.11 -5.97 42.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.12 111.15 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -81.57 -59.27 2.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.833 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.469 ' CZ3' ' HA ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -84.97 -10.81 56.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.9 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . -48.58 -29.19 4.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 71.45 111.091 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.7 p -64.56 -41.29 96.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 52.01 111.124 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.69 62.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 42.43 112.539 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -51.42 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 75.34 110.913 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -79.9 158.72 26.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 72.51 110.933 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -50.5 123.96 9.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.929 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.852 ' HA ' ' HB3' ' A' ' 117' ' ' ALA . . . -77.4 -3.69 41.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 45.11 111.108 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -91.12 1.88 56.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.822 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -98.34 143.5 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 73.41 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' HA ' ' HE1' ' A' ' 48' ' ' MET . 44.9 mt-10 61.63 166.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 64.11 110.919 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -90.22 11.56 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 71.25 110.925 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -27.04 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 54.24 111.17 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.84 -41.63 45.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.06 -35.19 15.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 65.12 111.02 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -53.86 -51.35 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 72.23 110.926 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -59.64 -30.89 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.12 111.147 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -74.54 -53.01 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 43.22 110.893 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.715 ' CD1' HD13 ' A' ' 59' ' ' LEU . 13.4 mt -58.94 -27.41 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.7 ttp -51.95 -67.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.34 110.798 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.85 -30.03 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.903 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -46.33 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.839 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -130.92 35.74 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.945 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -83.35 128.41 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 74.11 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.76 -21.02 0.38 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 72.32 112.455 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -33.23 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 60.41 111.189 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.54 177.2 4.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.93 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.76 147.95 52.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 71.12 110.881 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.74 140.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 71.13 110.874 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -75.21 169.16 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.85 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.426 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 1.9 tttp -51.53 165.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.876 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.467 HG23 ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -153.13 129.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.139 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 6.7 mttm -90.65 -81.56 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.501 . . . . 74.03 110.962 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.852 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . . . 172.43 176.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.53 111.122 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 64.36 -169.98 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 84' ' ' TRP . 0.7 OUTLIER 68.22 -174.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 71.13 110.892 -179.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.19 118.24 2.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 42.54 112.431 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -138.29 -158.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 54.42 110.908 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.14 -1.31 11.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.923 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' A' ' 126' ' ' TYR . 0.6 OUTLIER -50.07 -30.17 10.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 54.32 110.914 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.761 ' O ' HG22 ' A' ' 127' ' ' VAL . 12.8 p30 -66.91 -39.08 87.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 72.45 110.828 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -24.28 14.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 55.35 110.893 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.45 ' HB3' ' O ' ' A' ' 123' ' ' PHE . 4.0 t80 -51.59 -39.07 57.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.943 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 124' ' ' ASN . 28.8 m -55.38 -24.73 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 75.44 111.187 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.18 -52.8 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 55.51 110.88 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 9.4 ttp -72.19 -40.12 68.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.892 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -38.75 87.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 52.25 110.915 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.17 65.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 61.32 111.031 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -52.37 -40.48 62.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 73.24 110.886 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -32.45 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 64.3 110.833 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -55.49 -27.82 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.087 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.01 -38.31 11.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.933 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 115.28 36.6 1.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 71.45 112.46 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 30.5 mm -68.01 130.85 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 72.33 111.123 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -175.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 75.14 110.938 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.494 ' C ' HD23 ' A' ' 140' ' ' LEU . 1.0 OUTLIER 63.81 158.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.867 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.494 HD23 ' C ' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -148.17 152.56 37.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 72.14 110.911 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -133.11 171.8 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 72.45 110.867 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -168.63 137.68 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 72.12 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -132.57 163.14 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.867 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -167.14 158.96 12.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.778 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.97 140.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.873 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 161.96 37.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.863 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 71.23 110.811 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 mtp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.779 0.323 . . . . 63.52 110.832 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -178.59 177.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 65.14 110.857 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -148.98 160.53 43.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 73.01 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -100.72 82.59 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 63.2 110.847 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -128.12 137.47 52.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 65.43 111.089 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -68.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 55.25 110.862 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -162.7 -79.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.876 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.79 158.12 36.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 65.21 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 11' ' ' THR . 78.5 t -105.35 146.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.142 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -69.0 79.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.942 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.767 ' O ' HG21 ' A' ' 127' ' ' VAL . 82.2 p -135.69 157.58 46.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 74.12 111.133 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.15 88.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.93 79.85 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.733 . . . . 74.14 112.529 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.04 135.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 64.5 110.878 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -170.63 154.85 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 74.0 110.955 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.69 122.5 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 74.12 111.138 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t30 62.61 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 71.24 110.883 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.59 19.66 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 50.54 112.469 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -175.83 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 73.03 110.944 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -136.77 134.88 37.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 51.24 110.897 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.652 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -143.27 161.32 38.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 64.33 111.105 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -134.12 130.8 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 72.11 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.89 160.62 36.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 70.4 111.084 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.4 ' HB3' HG22 ' A' ' 11' ' ' THR . 1.0 OUTLIER -161.32 150.72 16.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 73.21 110.971 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.54 122.0 33.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 65.23 111.095 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 68' ' ' LEU . 2.6 m-30 -109.87 113.65 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 63.25 110.928 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.7 t -126.89 133.02 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 52.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -132.18 138.69 48.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.1 110.959 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 67.03 12.57 9.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 64.52 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.14 22.59 37.64 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.728 -0.749 . . . . 74.12 112.524 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -149.56 157.64 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 73.23 110.885 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.13 116.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.176 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -93.79 -42.2 9.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 70.12 110.828 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -131.52 168.83 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 63.52 110.943 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.64 90.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 74.21 110.833 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.18 108.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.03 -178.43 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.05 111.056 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -154.47 130.84 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.5 110.831 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 21' ' ' ALA . 19.5 t -102.08 155.25 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 64.23 111.134 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -118.02 170.33 13.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 70.42 112.438 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.98 28.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 72.53 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -74.41 156.0 87.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 65.41 110.864 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.65 -48.58 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 71.23 112.428 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' C ' HG22 ' A' ' 47' ' ' THR . . . -62.07 -23.56 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 70.24 111.092 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.22 -59.33 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.03 -34.05 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.147 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.425 HG23 ' HG2' ' A' ' 48' ' ' MET . 14.7 t -62.63 -32.23 73.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.22 111.125 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.425 ' HG2' HG23 ' A' ' 47' ' ' THR . 78.9 mmm -95.15 19.57 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.897 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 63.1 -167.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 63.51 110.938 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -70.46 -8.78 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.85 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.748 ' O ' HD12 ' A' ' 55' ' ' ILE . 84.2 t -51.91 -42.38 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 65.13 111.116 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.69 -21.31 57.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 40.22 111.14 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.507 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -75.4 -51.61 7.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 44.34 112.45 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.4 -49.98 63.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 64.42 110.973 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.748 HD12 ' O ' ' A' ' 51' ' ' VAL . 3.5 mt -65.23 -31.08 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 73.14 111.18 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.633 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -47.56 -46.26 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 70.2 111.148 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.57 -53.11 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 72.32 111.128 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.44 -29.36 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 64.22 111.066 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.3 mt -71.42 -67.57 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 52.42 110.983 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.633 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 32.9 m-85 -58.23 -23.33 55.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 64.25 110.886 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -63.89 -40.74 97.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 71.41 111.05 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 58' ' ' ALA . 58.5 t -76.35 -43.42 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 72.42 111.14 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -51.68 -50.04 61.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.905 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.759 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.48 -32.57 58.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.949 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -50.9 -41.83 58.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 61.14 111.062 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.8 t -65.37 -28.5 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 50.22 110.858 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -75.88 -44.89 38.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 62.01 110.967 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.4 mp -78.43 -6.64 55.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 65.11 110.935 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.56 33.06 40.19 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.78 -0.724 . . . . 64.44 112.436 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 68' ' ' LEU . 16.2 m -107.62 -32.61 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 74.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.52 -175.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.888 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.634 HG22 HG21 ' A' ' 9' ' ' VAL . 4.3 pt -133.27 134.23 57.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 61.3 111.195 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.12 100.61 5.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 54.42 110.884 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.685 HG21 ' CZ ' ' A' ' 112' ' ' PHE . 8.6 mt -144.25 34.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 54.31 111.12 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.82 -58.86 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 60.42 110.909 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 16.93 10.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 64.55 110.849 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' A' ' 74' ' ' ILE . 0.6 OUTLIER -64.04 125.27 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.02 110.918 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -92.87 39.94 1.05 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 71.04 110.95 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.6 -173.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 63.33 111.181 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.99 -46.79 68.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 74.13 112.475 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.39 -41.2 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 61.21 111.123 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.27 -5.95 47.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 52.54 111.133 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -57.12 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.466 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.55 -17.21 45.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 71.45 110.948 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.31 -23.1 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 72.22 111.143 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.7 p -63.76 -15.79 59.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 64.31 111.103 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.36 75.15 1.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 51.22 112.488 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.26 -42.33 6.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 64.31 110.853 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.57 158.55 24.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.44 . . . . 74.52 110.895 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -57.11 154.49 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 64.31 110.894 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.601 ' HA ' ' HB3' ' A' ' 117' ' ' ALA . . . -61.3 -19.54 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.12 111.049 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -7.36 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 61.45 110.93 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.591 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 3.1 t-20 -67.48 111.69 4.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 63.04 110.873 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.47 -173.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 75.23 110.87 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -91.03 11.07 24.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 70.14 110.888 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -27.64 26.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.128 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -47.28 48.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 64.51 110.879 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.74 -36.28 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 72.13 111.12 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' HD1' HD21 ' A' ' 59' ' ' LEU . 91.8 t80 -53.76 -54.37 39.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.916 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -55.93 -30.88 62.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 72.52 111.137 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -75.53 -51.31 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 70.1 110.944 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 59' ' ' LEU . 12.3 mt -62.31 -17.68 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 65.2 110.903 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -66.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.899 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -54.49 -29.22 49.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 62.24 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -49.03 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.93 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -128.46 35.7 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.901 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -84.3 128.69 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.831 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.35 -20.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 63.13 112.534 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -33.62 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 55.04 111.167 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.406 ' CE1' HG11 ' A' ' 62' ' ' VAL . 26.0 p90 -109.68 177.37 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.953 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.61 150.67 51.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 73.44 110.864 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.685 ' CZ ' HG21 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -175.87 147.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 63.13 110.806 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.6 -170.58 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.883 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -71.83 130.76 41.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.92 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -124.72 126.38 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 71.15 111.147 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -100.31 -82.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.601 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . . . -179.97 115.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 63.23 111.1 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -179.36 142.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 62.54 110.88 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.62 -168.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 54.25 110.912 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -161.24 -144.22 3.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 74.5 112.525 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.8 -76.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 73.44 110.951 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.09 11.19 25.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.93 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -48.85 -45.55 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 72.02 110.826 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.77 ' O ' HG22 ' A' ' 127' ' ' VAL . 5.3 p30 -76.86 -23.85 52.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.843 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -71.67 -22.38 61.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 54.21 110.867 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.15 -45.22 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.945 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 124' ' ' ASN . 29.3 m -56.03 -23.13 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 72.24 111.166 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.45 -47.12 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.41 110.84 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 20.2 ttp -72.85 -37.01 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.895 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -56.1 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.873 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.39 -33.49 53.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.24 111.125 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -51.62 -32.95 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 55.13 110.883 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.1 m -67.26 -37.09 82.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.815 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -53.18 -41.27 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 62.05 111.107 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.73 -44.4 42.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.904 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.82 42.1 1.48 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.721 . . . . 73.43 112.535 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.1 mm -67.83 151.27 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 62.14 111.122 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -174.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.909 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.35 156.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 71.02 110.897 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.9 83.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.887 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.07 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.5 110.861 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.34 105.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 62.15 110.84 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -175.57 149.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.4 110.871 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -176.71 145.95 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 71.21 110.841 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -175.33 167.88 3.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.858 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -174.16 108.35 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 73.02 110.872 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.88 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.821 0.343 . . . . 74.14 110.841 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.06 175.5 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 71.23 110.865 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.493 ' OD1' HG12 ' A' ' 70' ' ' VAL . 3.8 m-20 -137.95 -175.02 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.802 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -81.83 111.01 17.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.092 -0.503 . . . . 75.02 110.825 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.422 HG22 ' OH ' ' A' ' 7' ' ' TYR . 23.2 p -152.57 -83.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.22 111.175 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.27 63.36 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 73.22 110.92 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.422 ' OH ' HG22 ' A' ' 5' ' ' THR . 4.5 p90 -178.7 152.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 73.21 110.938 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.51 154.22 21.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 64.44 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.692 HG12 HG23 ' A' ' 11' ' ' THR . 81.8 t -90.05 145.32 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 45.1 111.103 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.32 78.84 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 74.2 110.937 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.692 HG23 HG12 ' A' ' 9' ' ' VAL . 80.5 p -138.23 172.95 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 63.5 111.148 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.81 100.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 74.04 110.822 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.68 91.0 0.47 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 64.22 112.437 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.27 133.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 75.2 110.875 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -179.19 142.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.964 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.67 122.92 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 52.14 111.181 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t30 62.56 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.6 18.17 1.0 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 50.31 112.515 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.55 175.23 5.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.84 0.352 . . . . 63.14 110.865 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -134.81 134.62 41.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.12 110.847 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.46 165.66 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 65.31 111.067 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.0 p90 -144.43 130.7 19.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.913 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 11' ' ' THR . . . -127.8 169.21 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.2 111.145 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.81 158.15 25.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 61.41 110.879 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.56 127.99 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 41.32 111.093 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.4 m-85 -109.11 139.9 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 64.45 110.868 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 t -142.27 132.26 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 72.04 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -128.94 133.58 47.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.53 110.939 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.32 12.52 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 54.45 110.805 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.81 26.33 24.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.701 -0.761 . . . . 45.44 112.442 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -149.75 164.82 34.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 63.12 110.891 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.16 122.54 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 65.14 111.151 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -107.55 -45.96 3.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.869 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -130.24 179.74 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.01 110.945 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -179.3 100.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 55.34 110.879 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.69 177.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 62.52 110.826 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -148.81 -170.19 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 65.44 111.043 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -155.1 140.73 17.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.807 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.1 t -102.2 155.48 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 51.43 111.137 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -119.58 -170.09 14.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 72.31 112.5 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.86 31.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 74.42 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.31 155.52 66.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.633 0.73 . . . . 74.41 110.897 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.652 2.234 . . . . 63.15 112.371 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.59 -24.9 65.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.24 111.11 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.98 -34.59 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 64.21 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.6 -25.69 57.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.086 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -74.17 -7.49 52.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.113 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.87 22.55 13.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 74.44 110.92 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 64.16 -81.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.834 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -154.49 20.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.13 110.84 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.752 ' O ' HD12 ' A' ' 55' ' ' ILE . 59.6 t -73.01 -38.94 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 61.43 111.116 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -76.16 -27.25 56.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 62.41 111.092 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.94 -49.73 15.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 72.31 112.484 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.28 -48.62 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 72.43 110.904 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 51' ' ' VAL . 3.5 mt -74.55 -31.34 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.5 111.075 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 52' ' ' ALA . . . -48.6 -31.87 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 63.41 111.132 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' A' ' 11' ' ' THR . . . -56.69 -53.37 58.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 53.44 111.108 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -39.67 61.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.149 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 102' ' ' LEU . 10.5 mt -52.31 -66.99 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.916 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -66.07 -23.33 66.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.465 . . . . 63.34 110.94 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.45 89.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 64.12 111.128 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 110' ' ' TYR . 96.9 t -76.27 -45.49 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 72.24 111.094 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -51.67 -48.07 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 63.24 110.891 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.623 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -73.28 -30.28 63.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 74.41 110.899 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.58 -34.02 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 43.23 111.114 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.418 ' HB2' HD12 ' A' ' 109' ' ' ILE . 3.7 t -73.14 -30.16 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 45.32 110.806 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.29 -37.9 78.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.888 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -91.98 -10.84 37.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 70.54 110.933 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 55.28 32.63 57.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 63.24 112.463 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.493 HG12 ' OD1' ' A' ' 3' ' ' ASP . 16.9 m -105.84 -29.93 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.942 0.401 . . . . 63.41 111.178 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.6 -169.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 63.41 110.859 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 74' ' ' ILE . 5.5 pt -139.69 173.11 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.25 111.147 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -55.53 136.78 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.31 110.914 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -141.34 178.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 64.14 111.162 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 68.76 -75.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.87 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.85 23.46 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.821 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -97.23 47.45 1.03 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.305 -0.407 . . . . 73.45 110.912 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -50.73 -56.99 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 65.53 110.991 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 51.93 -168.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 52.33 111.094 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.32 -25.61 73.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.805 -0.712 . . . . 53.54 112.506 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.96 -46.12 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 72.51 111.178 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.29 -8.75 52.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 61.35 111.113 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.31 -57.1 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.872 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -16.57 47.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.43 110.956 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -61.45 -16.39 46.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.04 111.063 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.8 p -63.9 -15.59 59.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.52 111.079 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.37 86.76 1.2 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.786 -0.721 . . . . 53.34 112.482 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -100.0 -62.66 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 64.35 110.842 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -175.18 122.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 75.35 110.973 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 88.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 61.04 110.869 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.61 -49.12 15.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.42 111.104 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -34.2 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 65.41 110.919 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.9 p30 41.86 39.19 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 52.33 110.882 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -161.75 -74.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 71.13 110.831 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -51.64 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 61.24 110.865 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -42.21 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.12 111.168 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -47.32 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 43.23 110.931 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.27 -33.51 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 73.55 111.047 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.517 ' CD2' HG21 ' A' ' 115' ' ' VAL . 28.4 t80 -53.43 -54.62 34.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 72.22 110.972 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.651 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -55.18 -33.05 62.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 75.01 111.113 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -74.55 -47.01 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.861 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 59' ' ' LEU . 5.7 mt -61.62 -16.89 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 63.22 110.909 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.0 ttp -57.36 -66.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.05 110.862 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -52.09 -31.83 32.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 54.15 110.816 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -48.82 67.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.963 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -116.79 28.89 8.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 62.01 110.913 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -83.19 125.22 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.864 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.45 -20.98 0.4 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.74 . . . . 75.34 112.524 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -108.21 -34.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 62.43 111.076 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.455 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.7 p90 -122.21 178.31 4.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.931 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.53 148.27 32.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 51.53 110.843 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.3 171.92 19.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.958 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.73 -170.0 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.866 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.606 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 5.4 tttp -94.49 117.08 29.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 74.24 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.651 HG23 ' HB2' ' A' ' 100' ' ' ALA . 2.1 m -104.32 139.76 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 71.11 111.126 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -105.5 -78.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 62.44 110.891 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 176.97 101.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 73.34 111.056 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -176.66 170.67 2.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.899 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 -169.41 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 65.24 110.817 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.04 -143.95 3.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 73.01 112.49 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -77.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 74.34 110.881 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -110.39 11.73 23.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.928 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -48.16 -44.89 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.873 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.739 ' O ' HG22 ' A' ' 127' ' ' VAL . 4.8 p-10 -74.63 -40.16 61.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 74.55 110.893 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.41 -24.77 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.899 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.7 -38.07 60.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 64.33 110.886 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 124' ' ' ASN . 20.9 m -56.04 -21.56 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 60.14 111.053 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.83 -48.99 74.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 55.02 110.919 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 6.7 ttp -68.87 -44.81 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 55.12 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -53.29 57.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 65.35 110.904 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.34 -33.63 54.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 33.14 111.071 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -52.26 -32.15 35.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.446 . . . . 63.32 110.845 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.7 p -75.6 -31.49 59.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 51.24 110.864 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.405 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . . . -55.09 -42.87 73.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 61.13 111.064 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.6 OUTLIER -68.87 -48.97 62.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 74.35 110.895 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.61 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 124.06 30.14 1.05 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.768 -0.73 . . . . 43.45 112.48 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.459 ' CD1' HD22 ' A' ' 135' ' ' LEU . 27.8 mm -52.36 143.39 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 54.12 111.184 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 157.94 17.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 71.13 110.952 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.17 -169.85 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 74.11 110.858 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.79 87.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.52 110.925 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.1 -179.35 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.82 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -163.5 174.04 12.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 63.53 110.872 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -163.57 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.01 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 62.82 165.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 61.14 110.843 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.91 -170.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 71.2 110.841 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -138.52 -73.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.905 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 62.12 110.811 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ttt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.758 0.314 . . . . 73.01 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -75.77 -178.32 4.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 72.15 110.865 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -136.81 -169.35 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.842 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -157.53 23.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 75.51 110.911 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -88.59 148.36 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 52.21 111.125 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -145.11 21.89 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 62.14 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.787 ' HB2' ' HB2' ' A' ' 134' ' ' ALA . 30.7 m-85 -121.47 157.11 31.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.35 110.905 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.734 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 10.7 t70 -50.63 151.05 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 70.05 110.863 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.729 HG12 HG23 ' A' ' 11' ' ' THR . 57.5 t -91.23 142.49 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 72.1 111.116 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -69.71 80.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.974 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.767 ' O ' HG21 ' A' ' 127' ' ' VAL . 41.2 p -131.46 177.79 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.132 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.54 106.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 65.34 110.847 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.87 -150.6 19.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 72.23 112.495 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p 64.36 156.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 72.14 110.868 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -176.69 166.27 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.945 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -141.87 113.46 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 42.23 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 69.55 -72.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 71.5 110.886 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.44 25.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.728 . . . . 64.04 112.484 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.67 -175.79 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 70.23 110.908 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.485 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 7.8 p90 -105.37 135.72 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 65.21 110.911 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 1.012 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -137.53 164.17 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 61.22 111.092 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -144.26 130.39 19.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.927 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.851 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -132.01 175.11 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 74.24 111.136 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.97 170.94 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.845 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.91 125.42 54.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 45.31 111.095 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -110.97 140.06 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.863 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 31' ' ' LYS . 4.8 t -144.89 128.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.31 111.126 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -124.91 134.53 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.52 110.899 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t0 67.1 12.5 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 61.55 110.889 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.41 26.39 25.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 42.14 112.541 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -149.64 162.78 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 75.31 110.861 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.45 119.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 71.02 111.074 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -107.68 -50.61 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 71.25 110.858 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -130.22 166.43 20.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.896 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -179.34 108.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.878 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.61 135.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.854 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.851 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -100.37 176.66 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 55.12 111.174 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -159.37 145.18 16.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 73.31 110.842 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.012 HG12 ' HB2' ' A' ' 21' ' ' ALA . 13.9 m -110.17 175.03 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 63.54 111.141 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.59 -157.01 9.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 70.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.6 52.03 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.767 0.317 . . . . 70.32 110.959 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -113.14 157.14 41.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 62.05 110.877 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -48.35 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.745 2.297 . . . . 71.3 112.288 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.49 67.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 74.21 111.101 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB1' ' CE2' ' A' ' 20' ' ' TYR . . . -99.37 12.93 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.15 111.106 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.33 19.17 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 62.04 111.133 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -126.48 11.89 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 63.32 111.14 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.528 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -125.43 22.89 7.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.845 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 72.12 -73.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 75.25 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -172.34 23.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.845 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.732 ' O ' HD12 ' A' ' 55' ' ' ILE . 49.0 t -76.09 -33.63 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.191 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB3' ' CE ' ' A' ' 48' ' ' MET . . . -77.27 -53.42 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 71.35 111.088 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.18 -26.26 42.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 14.13 112.476 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -69.39 -54.75 12.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 75.31 110.899 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 51' ' ' VAL . 2.9 mt -69.67 -30.56 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 75.44 111.133 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.558 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.47 -44.64 17.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 73.02 111.072 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.36 -50.25 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 70.04 111.105 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.33 -32.89 40.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 51.42 111.115 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.604 HD13 HD13 ' A' ' 102' ' ' LEU . 5.4 mt -67.9 -67.13 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.905 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.558 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 34.3 m-85 -56.93 -24.36 51.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 63.43 110.872 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.81 -40.54 88.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 61.13 111.051 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.558 HG21 ' CE1' ' A' ' 110' ' ' TYR . 96.6 t -76.26 -40.69 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 73.33 111.085 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -51.42 -48.0 62.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 62.43 110.867 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 68' ' ' LEU . 13.3 mttt -72.96 -29.26 62.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.906 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . -52.18 -32.53 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.23 111.095 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.4 t -75.94 -28.0 57.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.31 110.908 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -40.54 63.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 73.41 110.883 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.6 mp -81.93 -6.81 59.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 54.34 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.39 20.49 69.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 64.24 112.477 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 m -110.9 -171.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 75.2 111.105 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.08 168.17 20.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.875 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 74' ' ' ILE . 11.5 pt -120.48 179.65 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 64.21 111.125 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.22 101.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 72.54 110.879 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 72' ' ' ILE . 24.4 pt -95.73 -172.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 54.03 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.39 -169.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 74.13 110.909 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.42 100.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 71.11 110.857 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -89.38 147.7 23.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 70.34 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -79.46 -1.99 39.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.952 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . . . -60.45 -168.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 71.52 111.084 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.42 -1.8 68.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 34.51 112.512 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.09 -38.33 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 62.4 111.117 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.34 -5.57 45.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.5 111.102 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -57.51 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.2 110.853 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.467 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.58 -13.79 55.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.918 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -49.14 -26.53 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 41.23 111.091 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.1 p -63.92 -41.14 97.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.32 111.136 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.39 98.57 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 22.33 112.5 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -100.11 -62.39 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 71.25 110.939 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -98.87 160.14 14.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.932 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -64.6 87.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 61.14 110.918 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.57 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . . . -81.01 1.65 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 54.35 111.06 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -44.71 -32.43 1.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 72.35 110.832 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -77.46 59.2 1.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 51.01 110.883 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.68 -168.72 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.922 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.77 -13.95 11.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.848 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.686 HG21 ' CD2' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.14 -27.96 23.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.162 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -47.12 49.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.942 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.58 -33.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 73.44 111.102 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -53.47 -54.52 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.97 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -55.21 -29.51 58.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 40.0 111.097 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -74.54 -52.23 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.882 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.604 HD13 HD13 ' A' ' 59' ' ' LEU . 13.4 mt -59.9 -33.22 71.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 72.21 110.87 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.75 -67.36 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 64.41 110.844 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -53.47 -31.16 44.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.901 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -41.19 62.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.968 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.1 39.21 2.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.935 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.75 7.57 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 64.34 110.869 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.61 -6.01 61.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 71.11 112.507 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -40.66 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.384 . . . . 74.43 111.13 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.558 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.4 p90 -121.5 177.71 5.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.885 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.495 ' H ' HG22 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -147.98 154.04 39.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 72.21 110.835 -179.813 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -163.43 138.04 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 72.31 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.71 159.7 0.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 70.55 110.89 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.5 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 7.8 tttp -51.67 132.71 31.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.4 110.966 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -123.7 92.64 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 73.15 111.149 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -76.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.92 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.57 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . . . 179.0 164.36 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 51.01 111.092 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.686 ' CD2' HG21 ' A' ' 96' ' ' THR . 0.6 OUTLIER -163.29 -169.25 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.893 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.7 m -110.36 -74.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 61.12 110.883 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -166.61 165.36 38.33 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.702 -0.761 . . . . 55.11 112.518 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -179.7 -179.4 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 74.35 110.935 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -101.91 2.36 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.05 110.851 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -55.61 -29.74 59.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.894 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.753 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.5 p-10 -71.25 -38.41 71.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.34 110.881 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -25.93 18.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 43.35 110.802 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.66 -34.33 51.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 75.13 110.91 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.767 HG21 ' O ' ' A' ' 11' ' ' THR . 29.3 m -55.23 -23.89 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 72.21 111.102 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -60.95 -50.5 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 63.42 110.872 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.1 ttp -69.9 -49.56 50.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 61.02 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -50.77 68.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 75.51 110.892 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.35 -38.37 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.095 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.69 ' HG2' HD12 ' A' ' 137' ' ' ILE . 0.2 OUTLIER -52.53 -32.4 40.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.895 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.7 m -74.32 -36.26 63.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 54.11 110.876 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -76.22 -33.67 59.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.21 111.131 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 132' ' ' LYS . 4.1 mt -69.55 -24.86 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 65.44 110.851 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 99.6 20.71 16.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 52.32 112.474 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.69 HD12 ' HG2' ' A' ' 132' ' ' LYS . 11.5 mt -90.84 139.51 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 71.52 111.119 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 164.71 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 65.53 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.12 175.95 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.913 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.36 -75.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.4 110.893 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 50.89 91.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 75.04 110.88 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -96.92 84.11 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 74.43 110.823 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -152.18 -172.9 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 75.32 110.887 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.33 160.54 29.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.835 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.9 -172.29 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 70.14 110.871 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -162.86 -73.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.893 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.85 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ptm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.765 0.317 . . . . 63.12 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -168.3 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 70.43 110.843 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.47 ' OD1' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER 179.46 152.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 71.22 110.851 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -138.89 27.69 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 61.44 110.848 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.47 HG23 ' OD1' ' A' ' 3' ' ' ASP . 71.6 p -79.62 168.75 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 61.41 111.135 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 178.46 35.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.403 ' HB3' ' HD3' ' A' ' 130' ' ' LYS . 22.7 m-85 -135.08 -108.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 74.2 110.905 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -152.13 156.66 40.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 71.13 110.845 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.646 HG12 HG23 ' A' ' 11' ' ' THR . 60.2 t -91.41 142.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.24 111.132 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -71.1 78.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 65.34 110.958 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.76 ' O ' HG21 ' A' ' 127' ' ' VAL . 24.3 p -136.16 158.45 44.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 72.54 111.163 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 65.26 76.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 71.44 110.847 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.76 88.23 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.752 -0.737 . . . . 61.24 112.458 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.58 158.69 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 73.33 110.887 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -179.4 156.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 71.24 110.844 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.0 p -141.73 112.24 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 72.22 111.14 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 69.69 -71.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.25 110.858 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.32 25.15 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 74.53 112.516 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.57 -175.61 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.797 0.332 . . . . 75.33 110.891 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 45' ' ' ALA . 28.1 p90 -110.85 134.44 52.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.42 110.891 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.8 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -126.31 172.41 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 73.24 111.076 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -150.35 130.58 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.907 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.69 163.17 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 70.32 111.095 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -162.04 145.19 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 63.11 110.9 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.18 107.19 19.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 50.55 111.052 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -92.53 137.8 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.929 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 32' ' ' VAL . 17.7 t -148.98 109.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.01 111.172 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.12 142.66 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 73.32 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t0 70.72 9.73 6.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 73.14 110.907 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.36 22.19 45.3 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.676 -0.773 . . . . 72.5 112.496 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -149.5 157.46 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 73.3 110.912 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.428 ' HA ' HG22 ' A' ' 27' ' ' VAL . 97.7 t -58.24 129.9 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 74.03 111.119 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -107.85 -59.48 1.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 63.53 110.884 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.8 166.65 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.862 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.14 99.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 73.34 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.48 -75.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 61.15 110.895 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 64.26 109.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 64.45 111.127 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -146.99 -174.64 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.865 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 ' HB2' ' A' ' 21' ' ' ALA . 28.1 m -116.17 174.4 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 65.41 111.157 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.95 169.68 19.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.662 -0.78 . . . . 53.03 112.438 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -132.61 5.11 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 73.53 110.916 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -61.5 150.56 80.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.729 . . . . 55.22 110.868 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -48.84 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.6 2.2 . . . . 74.42 112.309 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.38 16.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 73.43 111.057 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 20' ' ' TYR . . . -99.31 -20.2 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.08 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.94 16.0 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.23 111.149 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -123.35 -0.87 8.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.24 111.148 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.24 26.6 8.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.925 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 64.01 -83.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.766 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -151.92 17.79 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.825 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.68 -37.72 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 65.12 111.111 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.59 -48.63 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.161 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.99 -40.86 75.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.801 -0.714 . . . . 71.24 112.454 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -54.98 -54.09 47.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 73.31 110.869 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mt -70.42 -31.7 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 60.22 111.134 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.38 -31.83 6.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 60.51 111.149 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -57.89 -53.75 54.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 43.21 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.65 -43.51 65.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 73.14 111.069 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.682 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.2 mt -52.53 -66.96 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.894 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.4 -33.53 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.974 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.42 -38.06 76.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 73.31 111.091 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.7 t -77.08 -45.15 30.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 63.04 111.178 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -51.7 -50.29 60.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 52.34 110.89 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.7 mptt -70.89 -27.93 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 72.2 110.924 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . -52.93 -31.32 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.12 111.065 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.407 ' HB2' HD12 ' A' ' 109' ' ' ILE . 3.4 t -76.3 -30.21 57.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 64.51 110.863 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -63.59 -29.34 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 71.24 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -102.57 -10.53 19.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.872 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.0 21.98 78.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 64.24 112.518 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 m -113.56 160.82 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 60.23 111.165 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 -169.71 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 63.15 110.849 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 pt -137.64 159.78 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 64.04 111.103 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 124.07 16.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.53 110.885 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.756 HD12 ' HB2' ' A' ' 75' ' ' LEU . 2.3 pp -150.52 -175.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.44 111.14 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.756 ' HB2' HD12 ' A' ' 74' ' ' ILE . 0.7 OUTLIER 64.51 109.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.857 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.54 19.8 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 65.31 110.813 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -61.74 131.64 50.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.814 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.19 -4.55 45.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 74.02 111.004 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.0 162.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 62.12 111.073 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.3 -14.18 59.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.696 -0.764 . . . . 73.32 112.507 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.539 HG23 ' HZ3' ' A' ' 84' ' ' TRP . 43.1 mm -68.99 -46.22 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 52.43 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.52 -10.51 59.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 75.03 111.14 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -55.53 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.867 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.539 ' HZ3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -80.21 -17.38 52.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 71.43 110.888 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.72 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -54.42 -24.29 19.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.34 111.089 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p -64.43 -16.45 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 64.23 111.144 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.69 64.79 2.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 73.24 112.522 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -37.12 51.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.858 0.361 . . . . 74.02 110.898 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -76.83 118.95 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 72.4 110.899 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.81 90.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.933 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.69 -48.8 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.125 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -90.55 -54.37 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.927 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 51.73 44.58 29.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.5 110.875 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -103.09 -74.16 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.878 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -123.1 -36.45 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.908 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.77 -45.58 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 72.14 111.157 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -43.16 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.58 -31.71 11.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 71.3 111.102 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.49 ' HD1' HD21 ' A' ' 59' ' ' LEU . 92.5 t80 -53.39 -54.78 31.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.911 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.544 ' HB2' HG23 ' A' ' 115' ' ' VAL . . . -55.26 -31.58 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 65.3 111.162 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -75.51 -45.6 37.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.953 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.682 ' CD1' HD13 ' A' ' 59' ' ' LEU . 6.3 mt -65.87 -23.74 66.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 62.14 110.953 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.6 ttp -52.84 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.926 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -53.12 -30.91 39.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 62.24 110.845 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -43.06 49.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 65.41 110.975 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.02 40.6 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 63.44 110.958 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.81 6.28 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 74.12 110.875 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.28 -6.51 65.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 64.51 112.536 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.407 HD12 ' HB2' ' A' ' 66' ' ' SER . 0.0 OUTLIER -116.1 -40.42 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 73.34 111.131 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.424 ' CE1' HG21 ' A' ' 62' ' ' VAL . 1.7 p90 -121.94 177.48 5.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.955 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.698 ' HB2' HD13 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -144.4 155.67 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 74.42 110.926 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.86 124.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.818 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.54 -178.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 73.35 110.874 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.72 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -49.12 135.48 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.91 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 100' ' ' ALA . 0.1 OUTLIER -120.94 -58.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 64.03 111.113 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.4 ' H ' ' HB2' ' A' ' 100' ' ' ALA . 6.9 mmmt 54.59 -168.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.891 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -109.54 164.94 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 64.3 111.086 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.29 -67.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 74.14 110.832 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.8 p 179.34 -175.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.834 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.82 151.97 19.97 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.658 -0.782 . . . . 61.1 112.44 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -149.14 -166.84 2.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 63.34 110.913 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -6.72 48.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.935 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -50.52 -30.53 13.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 73.42 110.903 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.756 ' O ' HG22 ' A' ' 127' ' ' VAL . 22.8 p-10 -74.01 -38.79 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.04 110.915 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.82 -23.65 19.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.848 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.27 -37.75 56.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 52.22 110.972 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.76 HG21 ' O ' ' A' ' 11' ' ' THR . 27.0 m -57.93 -21.36 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 70.15 111.088 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -62.57 -53.36 55.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 64.14 110.931 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 10.7 ttp -72.43 -38.05 68.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.91 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.403 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -63.91 -53.32 52.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 71.33 110.841 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.51 -33.5 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 73.32 111.171 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 135' ' ' LEU . 1.1 tttp -52.07 -29.49 21.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.7 m -77.74 -34.61 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.819 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.95 -29.93 70.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 41.13 111.117 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 132' ' ' LYS . 1.8 mt -80.0 -43.98 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.932 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.88 38.36 2.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.806 -0.711 . . . . 63.41 112.457 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.14 150.31 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 65.45 111.141 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.45 165.51 13.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 71.15 110.933 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.25 120.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 62.33 110.827 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.495 HD23 ' H ' ' A' ' 141' ' ' GLU . 0.1 OUTLIER 52.39 -170.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 62.14 110.89 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.495 ' H ' HD23 ' A' ' 140' ' ' LEU . 41.8 mt-10 -83.79 -43.4 15.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.846 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -176.4 172.65 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.855 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.24 164.8 2.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.852 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.27 157.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.912 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -167.16 178.55 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.817 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -124.98 -176.99 3.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 61.31 110.804 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.869 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.848 0.356 . . . . 71.14 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.51 150.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 61.44 110.869 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -130.23 -168.74 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.915 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -137.46 28.85 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -54.87 148.84 12.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 71.13 111.118 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.67 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 38.4 tp10 -64.11 -75.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.874 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -148.28 -78.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.897 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' OD2' HG12 ' A' ' 127' ' ' VAL . 26.2 t70 -93.15 159.79 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 64.1 110.91 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.406 HG12 HG23 ' A' ' 11' ' ' THR . 75.9 t -92.75 144.67 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 64.41 111.11 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' HB2' ' HB1' ' A' ' 131' ' ' ALA . 20.6 t80 -70.71 78.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.984 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.723 ' O ' HG21 ' A' ' 127' ' ' VAL . 56.3 p -117.7 178.49 4.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.099 -0.501 . . . . 51.13 111.214 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.08 107.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 75.34 110.83 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.83 -169.05 29.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 45.31 112.508 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.78 153.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 73.32 110.897 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -179.77 164.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 70.3 110.889 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.5 p -141.25 114.73 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 71.13 111.175 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 70.17 -71.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.32 26.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 64.24 112.459 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -178.02 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.351 . . . . 63.02 110.934 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -106.37 134.25 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.904 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.795 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -125.98 164.92 19.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 74.42 111.071 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -143.56 130.44 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.865 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.404 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -141.98 163.69 32.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 71.33 111.112 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.652 ' HB3' HG22 ' A' ' 11' ' ' THR . 2.3 p90 -162.34 138.42 7.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 75.13 110.939 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.91 107.06 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 61.34 111.091 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -93.33 135.77 34.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 72.22 110.833 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 t -151.08 108.59 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.25 111.157 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 142.57 42.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 61.54 110.922 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t0 70.86 9.46 6.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 70.23 110.848 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.09 24.89 39.14 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.801 -0.714 . . . . 64.3 112.524 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -149.94 158.61 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 72.43 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.6 128.64 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 61.4 111.179 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -107.57 -42.13 4.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.846 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -177.95 152.94 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.92 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.87 113.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 70.43 110.846 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -128.47 -38.82 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 74.53 110.862 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 23' ' ' ALA . . . 65.52 151.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 64.45 111.069 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -154.39 176.92 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 54.42 110.838 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.795 HG12 ' HB2' ' A' ' 21' ' ' ALA . 26.9 m -117.49 174.39 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 35.21 111.123 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.11 -158.0 19.68 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 51.41 112.501 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.09 55.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 71.3 110.897 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 3.5 m120 -117.25 153.99 50.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 64.35 110.921 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -48.68 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 55.04 112.334 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 47' ' ' THR . . . -70.0 -32.17 70.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 64.32 111.069 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -78.06 -29.86 49.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 54.32 111.098 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.8 -36.78 36.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 72.43 111.083 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 44' ' ' ALA . 8.9 t -71.5 -14.12 62.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 73.14 111.096 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -90.42 11.73 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 62.11 110.915 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 70.19 -72.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 55.34 110.835 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -163.99 23.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.864 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.62 ' O ' HD12 ' A' ' 55' ' ' ILE . 61.0 t -74.44 -44.3 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.024 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.72 -20.32 58.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 42.55 111.115 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -75.43 -51.81 7.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 70.54 112.498 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -53.4 -48.71 68.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 63.13 110.946 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 51' ' ' VAL . 5.5 mt -67.99 -31.93 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 65.21 111.18 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 53' ' ' GLY . . . -50.21 -37.91 37.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 65.43 111.108 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.36 -49.74 76.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 45.31 111.112 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.06 -29.61 22.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.24 111.147 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.759 HD13 HD13 ' A' ' 102' ' ' LEU . 5.7 mt -68.09 -67.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.958 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -59.44 -23.58 62.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.898 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -64.1 -40.08 95.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.075 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 110' ' ' TYR . 84.7 t -76.42 -43.04 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 64.35 111.075 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -51.24 -49.97 60.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.601 ' O ' HD12 ' A' ' 68' ' ' LEU . 37.5 mttm -77.53 -30.31 52.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.904 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.99 -31.58 41.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 54.44 111.134 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t -75.95 -28.15 57.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 64.43 110.882 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -69.82 -41.04 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 52.54 111.0 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -86.18 -12.51 49.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 72.0 110.935 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.28 23.93 62.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.69 -0.767 . . . . 73.31 112.478 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 m -96.33 -32.54 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 65.4 111.135 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 64.0 -170.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 72.14 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 74' ' ' ILE . 6.0 pt -140.5 -178.55 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 62.22 111.163 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -53.05 121.03 6.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.821 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.699 HG22 ' HA ' ' A' ' 110' ' ' TYR . 1.1 pp -110.81 -170.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 65.42 111.11 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.35 46.71 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 61.41 110.968 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 63.49 92.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.882 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -79.08 120.57 23.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.856 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 14.7 p90 -99.79 52.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 65.24 110.888 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.66 21.8 16.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 42.34 111.133 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.27 -50.94 0.85 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.714 -0.755 . . . . 65.41 112.449 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.18 -31.29 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 74.32 111.061 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 78' ' ' TYR . . . -75.47 -11.38 60.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 62.11 111.172 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.26 -56.92 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.825 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.469 ' HE1' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.45 -13.29 56.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 70.34 110.973 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.83 -23.45 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 61.31 111.11 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.8 p -62.77 -37.12 85.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.129 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.21 90.26 1.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 52.44 112.473 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.49 -62.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 72.31 110.897 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.58 159.0 28.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 74.32 110.878 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -81.62 86.36 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 53.14 110.874 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.589 ' HB3' ' C ' ' A' ' 117' ' ' ALA . . . -80.84 1.11 32.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 63.25 111.104 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -45.2 -33.42 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.869 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -91.48 45.24 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 52.02 110.901 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -141.51 -76.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 74.33 110.887 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 175.88 -27.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.01 110.885 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -40.96 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.15 111.171 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -40.1 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.64 -31.05 10.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.2 111.114 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.55 ' CE2' HG21 ' A' ' 115' ' ' VAL . 83.6 t80 -53.84 -54.03 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.879 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.9 -30.06 63.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.1 111.102 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -74.18 -53.19 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.452 . . . . 75.4 110.856 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.759 HD13 HD13 ' A' ' 59' ' ' LEU . 12.3 mt -59.04 -27.11 65.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 62.33 110.94 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 ttp -54.38 -66.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 61.14 110.821 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -51.85 -30.85 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 65.34 110.883 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -46.65 64.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.33 110.901 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -129.28 36.79 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.914 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -77.6 160.67 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 73.51 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.43 -50.33 0.88 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.748 -0.739 . . . . 45.34 112.467 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -31.68 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 70.35 111.159 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.699 ' HA ' HG22 ' A' ' 74' ' ' ILE . 3.2 p90 -127.55 178.15 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 71.22 110.93 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.16 155.66 27.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 65.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -148.03 168.66 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 72.24 110.847 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -177.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.883 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -78.25 60.61 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.52 110.968 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 99' ' ' TYR . 2.4 m -51.47 153.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.453 . . . . 64.4 111.117 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 33.3 mmtt -133.6 -78.42 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 64.21 110.854 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.589 ' C ' ' HB3' ' A' ' 91' ' ' ALA . . . 177.8 96.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 34.31 111.086 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -177.16 162.99 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 64.22 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 t -109.68 -169.23 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.837 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -152.16 -141.86 3.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 75.01 112.425 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.75 -84.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 73.3 110.928 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.11 11.93 23.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 71.41 110.897 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -48.15 -39.6 21.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.866 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.743 ' O ' HG22 ' A' ' 127' ' ' VAL . 1.4 p-10 -77.68 -34.5 52.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 75.51 110.87 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.79 -23.87 60.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.866 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.74 -39.39 62.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 63.12 110.889 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 124' ' ' ASN . 17.5 m -56.36 -21.92 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 65.11 111.123 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.04 -51.72 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.887 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 9.3 ttp -72.42 -41.62 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.52 110.889 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -53.43 57.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 60.43 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -53.43 -33.79 55.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 54.21 111.115 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -31.08 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.912 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 m -78.73 -32.4 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.883 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 6' ' ' GLU . . . -75.42 -42.12 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 52.5 111.057 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER -55.13 -61.91 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.96 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.577 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 141.09 67.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 14.43 112.486 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 35.8 mm -109.54 146.22 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 75.32 111.081 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -97.5 178.96 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.849 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.82 159.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.899 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.549 HD23 ' H ' ' A' ' 141' ' ' GLU . 0.2 OUTLIER -121.89 162.63 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.933 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.549 ' H ' HD23 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -165.87 -177.16 4.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.13 110.92 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -174.01 161.66 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.846 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -174.58 163.31 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.955 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -165.83 177.71 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 61.21 110.859 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.63 173.06 5.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 64.32 110.86 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -136.72 163.23 31.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 74.3 110.914 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 70.2 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.739 0.304 . . . . 64.32 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.91 -170.36 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.882 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -147.98 -169.22 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.826 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -149.35 18.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 54.51 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p -82.58 147.27 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.15 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 75' ' ' LEU . 22.4 mt-10 -141.36 25.1 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 65.13 110.825 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.91 168.41 13.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.916 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.408 ' OD2' HG12 ' A' ' 127' ' ' VAL . 18.7 t0 -51.51 154.51 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 74.43 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.4 t -91.27 144.45 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 64.02 111.134 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.464 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 25.7 t80 -70.18 79.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.958 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.514 ' O ' HG21 ' A' ' 127' ' ' VAL . 67.2 p -107.82 179.88 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 62.14 111.156 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 40.78 77.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.919 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.23 -148.37 3.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 61.22 112.515 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.27 -170.04 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.889 0.376 . . . . 43.54 110.825 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -136.5 -177.09 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 74.41 110.94 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.5 p -141.26 115.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 72.12 111.096 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 70.31 -70.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 72.11 110.869 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.77 25.15 0.16 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 74.01 112.491 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.43 -175.65 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 73.04 110.956 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -125.67 135.2 51.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.917 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.65 125.14 31.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 62.11 111.079 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -110.21 130.7 55.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.226 -0.443 . . . . 65.53 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -135.72 163.63 29.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.52 111.128 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.17 167.63 21.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 64.54 110.941 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . . . -105.37 108.53 20.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.14 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.3 m-85 -104.5 139.8 38.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.901 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 31' ' ' LYS . 7.2 t -152.46 133.01 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 53.1 111.118 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -122.24 124.42 43.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.942 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.41 13.92 9.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.291 -0.413 . . . . 71.55 110.9 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.88 27.91 22.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 73.41 112.452 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -132.96 -179.09 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 73.21 110.92 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.1 99.77 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.41 111.105 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -85.63 -56.64 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.826 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -131.06 147.18 52.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 71.34 110.889 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -157.03 59.31 0.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.52 . . . . 73.31 110.828 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.58 103.03 4.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.903 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -62.1 -170.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 72.01 111.056 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -150.98 130.79 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 65.21 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.4 t -103.91 155.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 74.42 111.146 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.422 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -109.21 -151.68 14.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 43.11 112.497 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.35 46.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 73.12 110.869 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -121.61 153.08 59.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 62.24 110.878 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -48.53 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.689 2.259 . . . . 63.51 112.338 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.58 -33.19 69.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.35 111.104 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.91 -21.52 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 55.54 111.111 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.7 19.62 20.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 43.2 111.168 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -126.62 -1.56 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.13 111.131 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 mmt -98.7 35.21 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 74.35 110.879 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB2' HG23 ' A' ' 51' ' ' VAL . 3.3 mtt180 56.35 31.13 18.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.851 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 64.41 14.78 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 49' ' ' ARG . 84.2 t -73.2 -43.44 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 44.12 111.17 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -51.52 -30.09 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 71.32 111.061 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.92 -38.88 75.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 14.14 112.457 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -52.88 -55.34 23.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 63.32 110.947 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.597 HG22 HD21 ' A' ' 59' ' ' LEU . 3.3 mt -75.46 -31.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.13 111.097 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 52' ' ' ALA . . . -46.61 -50.39 17.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.124 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 23' ' ' ALA . . . -54.53 -49.37 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 71.03 111.105 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.87 -34.86 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 70.41 111.043 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.597 HD21 HG22 ' A' ' 55' ' ' ILE . 5.5 mt -62.11 -67.16 0.44 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 55.31 110.884 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -59.16 -28.67 66.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.946 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 65' ' ' ALA . . . -62.27 -40.65 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.127 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 58' ' ' ALA . 99.3 t -76.27 -44.94 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 65.2 111.145 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -51.64 -49.45 62.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.88 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.742 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.9 mmtp -77.07 -31.24 55.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 73.44 110.915 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 61' ' ' ALA . . . -52.08 -33.25 38.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.33 111.053 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.1 t -74.91 -28.54 60.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 60.25 110.886 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -72.72 -42.95 63.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 63.22 110.899 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.5 mp -79.01 -2.31 39.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.892 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.55 13.1 58.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 33.34 112.493 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.36 156.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 75.23 111.147 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.62 149.18 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.87 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.8 pt -100.21 151.95 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 74.52 111.11 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -133.68 172.18 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.926 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.3 mm -125.03 -72.26 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 71.21 111.204 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 6' ' ' GLU . 1.9 mt 68.03 -76.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 64.33 110.98 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -82.33 165.1 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 73.05 110.808 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 73.55 -1.31 3.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 62.34 110.872 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 66.61 -76.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 74.34 110.953 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 82' ' ' ALA . . . -174.13 85.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 74.31 111.124 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -49.57 -30.56 13.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.785 -0.721 . . . . 53.54 112.407 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.78 -31.74 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 74.34 111.118 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 79' ' ' ALA . . . -73.39 -7.7 52.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 70.33 111.087 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -62.13 -57.57 11.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 72.41 110.875 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.438 ' CZ2' HG11 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -83.78 -11.83 56.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.873 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.594 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -49.13 -26.2 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 65.1 111.083 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.5 t -64.04 -40.55 96.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 72.34 111.126 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.29 106.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.761 -0.733 . . . . 71.15 112.473 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.42 -62.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 75.52 110.921 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.94 159.52 18.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 74.53 110.931 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.89 87.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.939 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.06 1.0 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 35.42 111.091 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -45.16 -31.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.894 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -87.25 48.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.896 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.0 -168.48 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 64.51 110.824 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.85 18.08 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 75.2 110.891 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -40.92 59.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 45.45 111.163 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -40.85 45.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.933 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.18 -36.32 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 65.33 111.13 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.414 ' CD2' HG21 ' A' ' 115' ' ' VAL . 15.1 t80 -53.71 -55.36 26.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.15 110.928 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.43 -29.76 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 54.32 111.084 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -76.0 -48.52 20.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.64 -18.37 62.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.02 110.866 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.8 ttt -60.02 -67.22 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 70.35 110.872 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -56.0 -30.23 61.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 54.12 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -44.87 54.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.939 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -131.73 35.78 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 63.12 110.896 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -84.73 128.17 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.859 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 156.94 -20.55 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.735 . . . . 33.31 112.484 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.07 -33.08 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 64.14 111.089 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -112.14 167.93 10.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.945 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.46 142.93 47.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.832 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.35 172.1 10.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 54.24 110.853 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.87 147.14 23.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.811 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.594 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -51.52 146.66 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 65.32 110.937 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.438 HG11 ' CZ2' ' A' ' 84' ' ' TRP . 0.0 OUTLIER -122.89 149.95 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 51.14 111.18 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 8.7 mmtt -104.69 -80.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.9 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 174.83 127.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 60.43 111.097 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.85 -169.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.797 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.38 -168.89 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 64.32 110.826 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -90.65 -149.5 22.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.773 . . . . 70.14 112.509 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -178.35 -165.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 55.31 110.902 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -20.71 14.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.914 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.46 -30.83 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 64.4 110.862 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.825 ' O ' HG22 ' A' ' 127' ' ' VAL . 2.4 p-10 -76.52 -42.47 43.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 62.22 110.901 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.49 -24.48 8.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.851 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.63 -30.76 22.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.13 110.954 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 124' ' ' ASN . 17.9 m -55.19 -24.07 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 64.3 111.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -53.33 -51.7 61.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.898 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.5 ttm -73.11 -42.98 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 61.1 110.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.74 -50.68 67.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.86 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.81 -38.33 61.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.15 111.087 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -53.29 -35.26 59.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -40.12 30.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 62.31 110.877 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.18 -34.02 68.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 74.32 111.149 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -77.12 -55.9 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.97 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.592 ' N ' HD23 ' A' ' 135' ' ' LEU . . . 134.34 83.07 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 45.2 112.485 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 26.3 mm -119.08 144.0 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 70.52 111.124 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -176.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.844 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 13.7 t70 63.96 159.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.6 178.62 9.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 70.1 110.968 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.04 -177.26 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 73.23 110.865 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -150.37 140.68 22.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 64.13 110.815 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.19 151.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 72.13 110.942 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.64 170.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.91 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -161.78 -179.56 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 63.01 110.854 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.59 140.64 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.816 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 63.55 110.847 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.746 0.308 . . . . 75.34 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.04 22.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.23 110.839 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.78 98.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.9 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -98.12 30.31 3.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 72.21 110.863 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -51.22 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.05 111.173 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 71.87 -68.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 72.1 110.879 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -50.38 157.6 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.905 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -52.93 159.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 62.24 110.847 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.579 HG12 HG23 ' A' ' 11' ' ' THR . 71.7 t -90.57 142.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.082 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -70.9 78.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.981 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.736 ' O ' HG21 ' A' ' 127' ' ' VAL . 17.8 p -121.4 178.59 4.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 72.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 64.11 64.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 51.34 110.848 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.8 -3.93 75.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 64.43 112.45 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t 63.45 -169.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 74.03 110.835 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -86.63 165.63 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 73.1 110.918 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 16' ' ' VAL . 3.8 p -139.86 109.12 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 52.22 111.128 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 69.62 -71.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.05 20.23 0.35 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.747 -0.739 . . . . 74.42 112.465 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -129.06 174.74 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 71.01 110.87 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -133.65 135.31 44.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.918 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.45 170.95 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 61.01 111.072 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 37.4 p90 -139.37 132.48 29.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 64.12 110.97 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' HG22 ' A' ' 11' ' ' THR . . . -131.64 168.65 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.43 111.057 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.402 ' HB3' HG22 ' A' ' 11' ' ' THR . 2.4 p90 -161.72 147.97 13.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 71.13 110.934 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.56 107.33 19.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 72.32 111.174 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -100.57 140.05 35.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.2 110.838 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 31' ' ' LYS . 5.0 t -137.18 134.23 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 75.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.39 133.54 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 63.4 110.892 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.6 t0 67.55 12.0 8.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 72.11 110.847 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.43 24.94 27.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 73.01 112.447 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 27' ' ' VAL . 1.5 ptpt -149.64 160.02 43.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.377 . . . . 64.3 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.11 123.7 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 63.15 111.14 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -107.71 -53.08 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.868 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -130.22 152.42 49.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 63.13 110.934 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.68 91.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 71.51 110.925 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.06 -42.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 53.24 110.868 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 64.42 164.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 63.21 111.015 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.66 161.73 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.887 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 40' ' ' GLY . 17.8 t -108.54 155.43 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 75.41 111.097 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -114.49 174.96 15.8 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.483 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.54 55.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 75.44 110.945 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -127.17 156.34 74.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.569 0.7 . . . . 73.41 110.887 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' O ' HG22 ' A' ' 47' ' ' THR . 54.1 Cg_endo -69.7 -42.28 3.6 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 73.0 112.369 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.462 ' HB1' ' CZ ' ' A' ' 95' ' ' PHE . . . -52.91 -27.54 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 40.53 111.073 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.44 -45.44 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.22 111.118 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -24.22 55.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 55.31 111.125 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 43' ' ' PRO . 2.8 t -62.73 -32.98 74.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.21 111.099 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.581 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 7.3 mtp -89.05 1.13 56.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.03 110.813 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 71.93 -71.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 73.32 110.907 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.08 -30.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 74.55 110.84 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.659 ' O ' HD12 ' A' ' 55' ' ' ILE . 39.8 t -49.85 -30.44 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 74.32 111.128 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.581 ' HB2' ' CG ' ' A' ' 48' ' ' MET . . . -76.53 -58.66 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 41.22 111.076 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.44 -48.53 75.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 62.04 112.455 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.99 -39.06 62.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 73.41 110.92 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 51' ' ' VAL . 10.5 mt -76.28 -32.22 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 41.52 111.132 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HA ' ' HG ' ' A' ' 59' ' ' LEU . . . -49.08 -32.02 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 62.11 111.155 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.453 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -52.3 -51.06 60.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 50.1 111.15 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.51 68.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 54.41 111.055 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD13 HD13 ' A' ' 102' ' ' LEU . 9.0 mt -52.32 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.927 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -62.53 -34.69 77.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 60.43 110.914 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.29 83.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.473 HG21 ' CE1' ' A' ' 110' ' ' TYR . 79.0 t -76.63 -48.3 26.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.099 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -51.4 -44.11 62.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 64.03 110.918 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.7 mmtp -74.58 -30.87 61.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 42.44 110.95 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.457 ' HB3' HG13 ' A' ' 109' ' ' ILE . . . -51.19 -32.05 22.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 34.5 111.081 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB2' HD12 ' A' ' 109' ' ' ILE . 4.7 t -75.78 -33.82 60.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.903 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -62.41 -33.87 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 64.4 110.933 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -94.51 3.89 54.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.934 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.61 19.49 42.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 73.11 112.541 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 68' ' ' LEU . 7.6 m -110.95 -171.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.368 . . . . 75.01 111.123 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.05 -169.07 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.951 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.634 HD12 ' NH1' ' A' ' 73' ' ' ARG . 10.7 pt -137.89 -178.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.15 111.183 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.634 ' NH1' HD12 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -52.85 147.86 8.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.828 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 111' ' ' SER . 2.3 tp 179.43 -35.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 65.14 111.133 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.63 -48.61 58.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 62.2 110.9 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -157.3 53.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.854 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.58 ' OD1' ' HB2' ' A' ' 79' ' ' ALA . 45.4 t0 -73.27 -61.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.53 110.903 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 t80 56.39 24.15 8.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.881 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.58 ' HB2' ' OD1' ' A' ' 77' ' ' ASP . . . -64.92 -175.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 72.54 111.128 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.81 -37.17 56.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 65.23 112.45 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.623 HG23 ' HZ3' ' A' ' 84' ' ' TRP . 47.9 mm -50.56 -32.82 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 65.33 111.132 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 86' ' ' THR . . . -78.53 -34.26 47.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 65.34 111.077 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -55.3 27.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 73.21 110.89 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.623 ' HZ3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -72.16 -32.52 66.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 74.33 110.93 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.04 -29.65 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 62.53 111.111 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 82' ' ' ALA . 27.3 p -64.95 -24.79 67.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 54.4 111.158 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.67 73.08 1.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.781 -0.723 . . . . 74.34 112.547 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -55.4 -25.99 39.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 65.34 110.866 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -95.39 118.88 32.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 72.33 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 88.53 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 54.31 110.914 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.61 -49.93 13.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 75.34 111.063 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -91.27 -42.57 10.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 62.41 -86.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 75.22 110.874 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 60.48 -86.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.55 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.462 ' CZ ' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -146.84 12.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.53 110.881 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.18 -32.71 59.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.04 111.195 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -46.17 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.897 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.02 91.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.52 111.059 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.465 ' CG ' HG21 ' A' ' 55' ' ' ILE . 14.7 m-85 -52.68 -35.05 54.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 63.25 110.975 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HB1' HG23 ' A' ' 115' ' ' VAL . . . -71.81 -28.89 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 73.45 111.145 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -74.45 -44.36 52.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 64.14 110.918 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.484 HD13 HD13 ' A' ' 59' ' ' LEU . 49.2 mt -54.04 -20.93 7.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 72.31 110.859 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -65.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.929 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -57.94 -31.45 66.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 70.31 110.948 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.62 67.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.93 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -114.22 27.12 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.92 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.74 128.45 33.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 64.42 110.881 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 156.85 -24.46 0.49 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.728 -0.749 . . . . 71.15 112.478 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.457 HG13 ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -105.78 -33.16 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 72.24 111.12 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.473 ' CE1' HG21 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -127.54 178.04 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 75.42 110.892 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.719 ' O ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -148.42 163.71 36.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 63.54 110.864 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.57 171.9 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 75.52 110.859 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -78.09 161.51 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 64.54 110.844 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.23 129.08 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 61.24 110.922 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.458 HG23 ' HB1' ' A' ' 100' ' ' ALA . 1.0 OUTLIER -118.14 140.46 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 65.33 111.116 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -130.76 -76.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 70.02 110.907 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -179.3 133.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.51 111.102 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.07 -169.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.445 . . . . 74.22 110.816 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -150.58 172.77 14.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.835 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.15 -149.9 5.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 71.14 112.529 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.85 -78.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 75.44 110.847 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.64 10.99 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 65.35 110.924 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -48.01 -41.37 25.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 64.1 110.929 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.756 ' O ' HG22 ' A' ' 127' ' ' VAL . 8.5 p30 -75.7 -40.31 55.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 72.4 110.875 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.16 -23.09 32.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.818 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -51.97 -42.52 62.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 65.41 110.948 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 124' ' ' ASN . 20.5 m -55.78 -25.4 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.03 111.129 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.18 -50.06 74.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 14.2 ttp -72.38 -40.69 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.24 110.91 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -54.01 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.932 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.34 -33.83 55.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 53.42 111.147 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -30.47 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.856 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.4 m -73.29 -34.85 65.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 53.54 110.855 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.2 -39.44 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 64.23 111.149 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.92 -44.83 63.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.97 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.99 37.82 2.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 62.42 112.445 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 33.7 mm -63.55 -38.91 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 75.33 111.091 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 64.66 119.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.51 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -155.73 -170.02 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.819 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.37 -178.93 7.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 64.14 110.949 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 51.26 -169.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 73.15 110.858 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.53 166.65 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.788 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.8 t60 62.78 101.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 53.54 110.919 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -178.73 100.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 63.03 110.888 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -136.52 -177.35 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.843 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -171.39 73.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 71.32 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 74.12 110.879 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.794 0.331 . . . . 72.3 110.862 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.21 -179.5 6.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.851 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -139.63 -168.34 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.877 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -151.38 20.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 62.23 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.8 p -73.61 -176.14 2.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.095 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.78 -64.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.822 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -50.0 164.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.915 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -50.83 157.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 64.02 110.87 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.617 HG12 HG23 ' A' ' 11' ' ' THR . 58.5 t -90.18 142.19 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 51.01 111.112 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -70.57 79.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.979 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.714 ' O ' HG21 ' A' ' 127' ' ' VAL . 27.9 p -118.76 178.97 4.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 64.35 111.169 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER 63.03 -171.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 61.41 110.903 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.14 141.97 12.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 73.24 112.488 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.58 177.07 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.352 . . . . 60.31 110.847 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.591 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 13.7 t80 -140.26 -70.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 73.12 110.9 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -143.41 128.97 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 53.14 111.125 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 46.27 -158.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 74.41 110.928 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.07 51.94 4.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 64.24 112.458 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.05 -175.63 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 63.11 110.937 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -129.05 136.56 50.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 75.12 110.926 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 15' ' ' TYR . . . -142.85 173.17 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.116 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.611 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 24.5 p-90 -138.65 130.41 27.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.891 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' HG22 ' A' ' 11' ' ' THR . . . -135.34 168.38 19.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 55.31 111.183 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -163.05 165.21 25.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.882 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.5 107.09 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.062 -0.517 . . . . 52.43 111.061 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CE2' HD11 ' A' ' 68' ' ' LEU . 3.2 m-85 -91.14 140.08 30.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 74.1 110.946 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 t -144.02 127.91 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 73.2 111.137 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -121.62 131.69 54.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 74.41 110.891 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.15 13.42 8.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.888 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.5 23.34 37.04 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.767 -0.73 . . . . 70.21 112.473 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.72 170.15 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 44.35 110.876 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.48 119.48 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 61.44 111.087 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -107.58 -49.3 3.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 75.01 110.846 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -130.18 163.63 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 73.13 110.909 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -171.6 96.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.925 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -174.46 119.14 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 73.33 110.818 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.52 -176.78 6.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 64.34 111.123 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -153.87 138.95 17.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 54.31 110.844 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.9 t -105.18 155.49 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.13 111.131 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -111.41 -163.31 17.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 73.33 112.438 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.77 52.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 52.11 110.902 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -114.65 154.91 46.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.596 0.712 . . . . 63.12 110.906 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.534 ' O ' HG22 ' A' ' 47' ' ' THR . 54.4 Cg_endo -69.72 -48.76 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 71.54 112.367 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.75 -19.95 63.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 60.41 111.125 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.77 -35.19 13.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 61.52 111.105 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.22 -40.78 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 65.54 111.108 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 43' ' ' PRO . 5.6 t -60.54 -20.13 59.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 73.11 111.127 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.63 ' O ' HG23 ' A' ' 51' ' ' VAL . 25.4 mtp -90.97 12.48 19.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 73.43 110.861 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 69.94 -72.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 73.34 110.857 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -162.59 22.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 52.31 110.867 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.743 ' O ' HD12 ' A' ' 55' ' ' ILE . 35.9 t -74.18 -51.0 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 71.22 111.13 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.581 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . -66.73 -20.13 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 62.32 111.091 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.49 -49.81 8.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 61.13 112.529 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 12' ' ' ASP . 21.0 pt-20 -64.97 -47.93 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 73.01 110.884 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 51' ' ' VAL . 4.5 mt -65.89 -32.01 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.5 111.103 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 22' ' ' TRP . . . -47.05 -49.07 22.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 52.44 111.086 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' A' ' 23' ' ' ALA . . . -49.78 -54.65 17.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.14 111.062 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.05 -30.13 24.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 32.24 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 102' ' ' LEU . 6.1 mt -69.49 -67.29 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.928 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.584 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 34.1 m-85 -58.46 -25.05 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 71.41 110.94 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.65 96.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 74.41 111.125 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 58' ' ' ALA . 93.8 t -76.28 -43.76 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 54.14 111.132 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -51.86 -48.21 64.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 63.2 110.929 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.72 -31.19 56.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.884 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.9 -32.36 32.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 75.1 111.133 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -76.07 -28.86 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.83 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.48 -43.57 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.939 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.6 mp -77.91 -3.24 40.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 74.2 110.926 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.42 11.39 59.42 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 33.44 112.506 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 m -101.65 -171.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 71.12 111.111 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.99 -169.93 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.864 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 74' ' ' ILE . 8.9 pt -138.15 -178.99 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.52 111.154 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -52.5 107.89 0.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 65.15 110.848 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.625 HG22 ' N ' ' A' ' 111' ' ' SER . 22.1 pt -112.93 -13.86 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 71.1 111.142 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.44 HD22 HG13 ' A' ' 74' ' ' ILE . 4.5 mm? -75.77 66.53 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 71.45 110.898 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 51.22 61.42 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 64.33 110.884 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -51.37 110.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 75.11 110.855 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -85.3 49.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 65.14 110.85 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.99 -165.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.096 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.39 -35.24 35.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 71.33 112.469 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.62 HG21 ' CD1' ' A' ' 112' ' ' PHE . 1.9 mp -56.14 -24.1 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 74.34 111.169 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.3 -22.74 12.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.052 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.31 -56.44 11.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 73.3 110.901 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.461 ' CE3' HG12 ' A' ' 115' ' ' VAL . 8.1 m-90 -73.0 -29.92 63.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.889 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.59 -28.67 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 62.13 111.145 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.7 p -70.02 -38.9 76.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.5 111.173 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.13 68.42 1.55 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 43.05 112.539 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -100.2 -63.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 55.54 110.91 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -175.48 159.35 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 62.24 110.9 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.88 95.4 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.55 110.83 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.481 ' HB3' ' CD2' ' A' ' 118' ' ' HIS . . . -77.03 -48.06 18.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.31 111.148 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -54.56 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.855 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 40.97 39.18 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 73.15 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -117.81 -75.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.97 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.4 -17.29 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 64.32 110.845 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.459 HG21 ' H ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -53.49 -34.98 60.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 53.2 111.167 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HG3' ' HB2' ' A' ' 117' ' ' ALA . 3.8 mp0 -58.11 -42.17 85.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 43.04 110.986 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.5 -36.29 22.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 63.45 111.172 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.793 ' CD2' HG21 ' A' ' 115' ' ' VAL . 5.6 t80 -53.59 -48.57 69.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.925 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 115' ' ' VAL . . . -60.78 -27.27 67.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 64.54 111.124 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -74.71 -51.39 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 64.32 110.886 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.49 ' CD1' HD13 ' A' ' 59' ' ' LEU . 7.7 mt -53.89 -24.66 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 60.3 110.895 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.874 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -55.9 -30.52 61.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 71.22 110.905 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -47.76 50.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 62.43 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 34.79 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 43.21 110.924 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 128.15 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 74.42 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.54 -21.68 0.33 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.789 -0.72 . . . . 53.52 112.517 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -33.7 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 73.32 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.401 ' CB ' HD11 ' A' ' 72' ' ' ILE . 9.1 p90 -115.75 177.75 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 63.43 110.915 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.625 ' N ' HG22 ' A' ' 74' ' ' ILE . 1.8 m -139.78 151.75 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.863 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -175.95 172.76 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.14 110.915 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.41 164.11 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.894 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -71.59 78.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 61.4 110.943 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.793 HG21 ' CD2' ' A' ' 99' ' ' TYR . 15.0 m -50.87 111.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 62.44 111.107 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 6.6 mmtt -71.22 -78.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.863 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 116' ' ' LYS . . . 176.31 150.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 60.4 111.106 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -179.77 -177.1 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 70.12 110.814 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 p -91.29 -169.08 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.857 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -111.76 138.39 14.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 45.41 112.545 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -135.85 -140.15 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 62.34 110.919 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -106.12 -2.69 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.924 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -53.09 -26.5 16.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 55.33 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.741 ' O ' HG22 ' A' ' 127' ' ' VAL . 7.5 p30 -75.6 -36.64 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.34 110.894 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.62 -24.02 45.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.954 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -52.17 -36.97 53.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.99 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 124' ' ' ASN . 27.2 m -55.58 -22.11 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 74.52 111.188 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -61.48 -53.02 61.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 75.04 110.876 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.8 ttm -69.15 -44.3 72.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.867 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -49.11 78.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.944 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.82 68.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 52.01 111.145 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -51.84 -30.0 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 72.13 110.851 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.1 t -70.72 -45.84 64.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.823 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.46 74.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 53.11 111.069 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.05 93.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 63.45 110.897 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 100.89 29.39 6.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 71.44 112.515 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.08 147.86 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 73.52 111.142 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.81 158.02 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.864 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.39 177.57 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.879 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.704 ' C ' HD22 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -155.67 164.91 37.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 42.03 110.935 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.528 ' N ' HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -172.64 -176.13 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.53 110.932 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -142.4 44.23 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 61.24 110.877 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.72 173.7 11.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.81 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.18 153.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 74.2 110.938 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -173.94 153.75 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.875 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -136.15 163.91 29.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.885 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 73.03 110.846 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 73.43 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -170.36 -172.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 70.23 110.86 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -155.24 175.16 14.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 63.25 110.843 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -92.51 119.2 31.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.881 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.4 p -138.69 -78.1 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 74.43 111.173 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 61.65 62.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.918 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.738 ' CD2' ' HB2' ' A' ' 134' ' ' ALA . 16.2 p90 -174.6 135.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.15 110.945 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.446 ' OD1' HG12 ' A' ' 127' ' ' VAL . 17.8 t70 -49.55 160.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.872 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.764 HG12 HG23 ' A' ' 11' ' ' THR . 78.9 t -89.74 142.9 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 72.43 111.127 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -71.25 78.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 70.31 110.904 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.764 HG23 HG12 ' A' ' 9' ' ' VAL . 61.6 p -130.82 155.52 46.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 64.45 111.162 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.35 59.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 62.13 110.855 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.18 66.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.667 -0.778 . . . . 41.15 112.438 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.53 126.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 72.41 110.849 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -158.14 161.34 37.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 70.3 110.947 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 16' ' ' VAL . 8.6 p -142.24 125.38 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 62.4 111.148 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 46.19 -156.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.879 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.95 54.96 3.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.681 -0.771 . . . . 74.25 112.461 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -143.93 -179.21 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 55.32 110.845 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.482 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 9.0 p90 -129.76 134.59 47.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.887 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.84 159.48 40.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 63.45 111.114 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -132.47 130.53 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 72.43 110.968 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.965 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -127.99 168.14 15.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 62.02 111.05 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.08 176.57 11.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 71.54 110.934 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.21 125.65 51.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 74.53 111.124 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.53 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.4 m-85 -113.69 140.46 48.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.828 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 t -143.32 133.17 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 44.43 111.141 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' CE ' HD23 ' A' ' 68' ' ' LEU . 1.2 mmmt -139.39 141.81 37.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 63.45 110.907 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 66.44 13.15 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 25.01 110.858 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.84 7.73 68.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 23.41 112.401 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -134.52 169.47 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 70.04 110.89 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -64.38 125.61 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.22 111.156 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -107.53 -57.59 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.32 110.834 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -130.14 159.86 35.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 73.21 110.911 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.52 87.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 75.34 110.885 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -159.69 138.99 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 64.23 110.826 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.965 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -92.85 179.88 5.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 63.15 111.115 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.35 148.95 30.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 45.14 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 40' ' ' GLY . 18.9 t -108.73 155.65 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 75.24 111.17 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -114.41 -154.61 11.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.766 . . . . 52.42 112.451 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.34 55.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 64.21 110.945 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -122.38 154.85 62.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 71.1 110.899 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.67 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.653 2.236 . . . . 73.32 112.381 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.91 69.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 45.43 111.102 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB1' ' CE2' ' A' ' 20' ' ' TYR . . . -95.04 14.11 22.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.44 111.122 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.07 12.6 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 74.43 111.153 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -119.62 12.69 12.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.114 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.39 22.36 8.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 52.21 110.975 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 72.09 -73.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 70.14 110.852 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -172.15 22.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.848 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.12 -32.82 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 72.5 111.118 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.24 -55.9 5.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 74.1 111.107 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.84 -33.62 56.37 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.744 -0.741 . . . . 71.14 112.483 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.62 -54.39 47.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 53.33 110.86 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mt -74.02 -31.49 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 72.2 111.175 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.502 ' HB1' ' HE2' ' A' ' 60' ' ' TYR . . . -46.55 -38.02 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 62.31 111.069 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HB1' HG22 ' A' ' 11' ' ' THR . . . -51.0 -47.41 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.41 111.122 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -52.52 -37.56 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 72.33 111.113 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.9 mt -62.81 -66.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 52.32 110.991 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.502 ' HE2' ' HB1' ' A' ' 56' ' ' ALA . 36.7 m-85 -53.64 -28.35 32.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.951 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.77 80.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.043 -0.526 . . . . 54.41 111.079 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 58' ' ' ALA . 69.7 t -75.93 -43.36 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.107 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -51.5 -48.41 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.89 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.701 ' O ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -77.2 -31.38 55.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 52.33 110.902 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.03 -34.39 42.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 51.15 111.11 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 t -73.95 -28.79 61.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 52.51 110.897 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -72.22 -39.57 68.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 54.24 110.953 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.2 mp -82.49 1.56 37.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.888 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.87 22.01 39.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 45.42 112.512 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 68' ' ' LEU . 8.1 m -108.77 -175.9 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 52.13 111.206 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -138.19 152.53 48.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.957 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.6 pt -100.21 179.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 71.34 111.115 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.6 140.88 33.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 62.42 110.849 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 111' ' ' SER . 28.5 pt -151.26 178.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 65.42 111.1 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 68.54 -75.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.05 110.934 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -110.82 96.21 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 64.42 110.871 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.58 -49.78 5.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.819 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 51.8 30.24 6.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 74.12 110.933 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.25 -169.52 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.51 . . . . 73.24 111.148 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -56.28 -22.68 38.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.743 -0.742 . . . . 64.11 112.567 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.502 HG23 ' HE3' ' A' ' 84' ' ' TRP . 8.0 mm -79.58 -21.18 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 75.04 111.11 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.52 -37.03 74.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 51.35 111.131 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -92.91 -20.93 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 62.15 110.902 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.742 ' CE3' HG21 ' A' ' 115' ' ' VAL . 12.7 t90 -75.9 -27.15 57.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 73.34 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.763 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -80.93 -18.83 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 74.54 111.127 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -65.08 -23.12 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 73.41 111.163 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.41 76.82 1.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 71.24 112.502 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -30.7 26.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 72.13 110.903 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.06 123.95 29.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 73.43 110.935 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.93 98.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.858 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.61 -48.78 18.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 71.33 111.155 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.07 -37.97 23.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.849 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 40.96 40.58 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 62.32 110.921 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.51 -75.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.934 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.82 12.68 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 73.24 110.892 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.666 HG22 ' CZ2' ' A' ' 84' ' ' TRP . 0.0 OUTLIER -75.48 -40.5 57.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 73.13 111.164 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -39.68 35.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 62.14 110.888 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.19 -40.83 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 61.41 111.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.517 ' HD1' HD21 ' A' ' 59' ' ' LEU . 73.0 t80 -52.27 -55.51 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.913 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.4 -32.25 38.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 53.34 111.063 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -76.93 -56.52 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.33 110.927 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.556 ' CD1' HD13 ' A' ' 59' ' ' LEU . 46.8 mt -55.69 -21.71 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 54.11 110.86 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.91 -67.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 61.32 110.847 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -56.43 -30.49 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 72.25 110.893 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -49.22 54.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.874 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.493 ' OH ' HD22 ' A' ' 59' ' ' LEU . 1.9 p90 -126.84 35.45 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.946 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.89 129.56 34.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.838 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 157.74 -21.18 0.38 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 43.1 112.497 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -31.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 62.24 111.17 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -117.7 177.6 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 75.33 110.963 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.487 ' H ' HG22 ' A' ' 74' ' ' ILE . 3.3 t -148.75 161.46 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.828 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -170.93 172.84 5.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.869 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.43 155.07 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 63.32 110.927 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.79 101.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.96 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.763 HG23 ' HA ' ' A' ' 85' ' ' ALA . 3.4 p -114.13 146.97 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 70.33 111.164 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -129.84 -65.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 52.22 110.872 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -175.68 160.21 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.097 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 179.62 -169.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.22 110.797 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.6 p -82.66 -75.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 62.22 110.859 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 139.44 -173.83 22.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.662 -0.78 . . . . 65.12 112.47 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -179.42 -169.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 55.31 110.902 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -6.84 51.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.913 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -51.61 -29.72 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.772 ' O ' HG22 ' A' ' 127' ' ' VAL . 2.8 p30 -74.04 -41.98 60.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.873 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.58 -25.04 9.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 63.52 110.931 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -52.43 -36.26 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.92 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 124' ' ' ASN . 32.5 m -55.57 -23.58 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 42.33 111.156 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -60.85 -53.59 55.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 73.51 110.873 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -39.94 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 60.24 110.883 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -46.69 86.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 72.45 110.914 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.93 71.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.109 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.69 ' HG2' HD12 ' A' ' 137' ' ' ILE . 3.4 mttp -59.58 -36.03 75.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 73.51 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 t -59.75 -31.74 69.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 65.2 110.832 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.738 ' HB2' ' CD2' ' A' ' 7' ' ' TYR . . . -51.61 -40.4 59.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 71.51 111.059 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 mp -88.46 -13.6 39.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 74.14 110.952 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.87 36.79 35.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 72.53 112.422 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.69 HD12 ' HG2' ' A' ' 132' ' ' LYS . 4.1 mt -70.56 138.41 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 73.23 111.077 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -173.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.896 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.11 141.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.51 110.917 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.33 99.57 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.03 110.877 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -157.2 142.64 17.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 73.53 110.891 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -177.91 118.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 73.03 110.839 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.46 -173.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.891 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 61.48 176.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.848 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -169.48 -171.52 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 71.21 110.783 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -113.81 176.73 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 64.55 110.822 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 70.52 110.906 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_