data_2klx_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 2klx _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 ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.94 146.7 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.04 137.68 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -131.46 126.31 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.81 126.34 52.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -105.34 107.58 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.98 -179.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.095 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.439 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 20.8 ptt180 -87.61 158.69 50.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.79 -8.19 22.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.336 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -100.75 54.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 4.9 p -114.84 98.25 49.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.83 -6.35 18.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -103.59 -40.96 6.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.4 p -55.0 -23.48 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -48.68 -32.75 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -66.12 -47.05 75.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -54.07 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.04 -36.23 76.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.1 -48.55 78.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.55 -46.62 89.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.59 -58.05 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -58.86 -31.61 68.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -67.4 -40.16 85.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -72.0 -32.09 66.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.95 47.08 1.29 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.15 174.24 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.45 111.04 22.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -103.59 138.33 40.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.7 m -100.81 118.16 36.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -87.1 111.51 20.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.4 mm -97.61 121.83 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -58.32 143.2 45.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.14 -20.65 27.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 p -49.58 106.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.6 p -56.01 -24.65 40.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -50.91 -31.41 17.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.06 -29.97 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -70.07 -44.3 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -59.95 -45.99 90.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.05 -41.99 81.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -52.65 60.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.01 -34.47 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.75 -49.87 73.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.43 -11.07 59.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.32 -42.68 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -113.32 -38.24 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.99 -35.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -170.04 113.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -174.49 153.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 t -153.07 53.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -150.18 157.94 36.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.9 41.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.27 175.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mp -102.89 113.09 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.3 140.82 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.81 113.44 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.04 -96.98 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.525 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -129.26 30.99 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -142.95 147.14 34.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -111.2 105.05 13.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.33 -73.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.34 -75.26 0.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.27 160.74 23.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 43.3 t -70.87 -60.31 2.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.02 -26.05 34.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.47 -51.34 59.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.71 -36.55 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -52.97 27.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.16 -52.54 62.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.92 -48.32 81.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -56.57 -34.62 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -84.07 -21.45 31.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 -22.01 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.44 -2.84 3.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -84.17 4.56 29.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.85 -41.65 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -53.52 -47.33 70.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 t -66.76 -50.32 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.72 -52.32 62.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -39.54 93.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -67.9 -25.33 65.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -85.09 -49.18 8.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.58 -26.58 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.43 146.24 41.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.21 137.82 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 mt -130.68 145.11 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.41 114.29 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -94.61 113.56 25.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.49 179.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.91 156.5 52.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -98.07 52.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 p -116.27 96.05 46.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -8.01 22.49 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.18 -12.18 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 m -54.28 -24.26 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -48.84 -39.58 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.2 mtt-85 -61.88 -54.56 40.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -58.17 9.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -54.43 -31.53 55.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.54 -43.94 75.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.4 -53.27 58.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.01 -51.48 67.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.93 -38.65 76.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -64.55 -39.13 93.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -32.58 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.42 45.65 3.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.2 176.17 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.945 0.402 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -106.67 114.41 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -106.94 146.97 30.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.012 0.434 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.7 m -115.99 117.24 29.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -82.63 133.62 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -119.34 120.46 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -53.56 143.51 19.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.16 -18.95 40.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -50.24 104.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p -52.55 -27.44 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t -50.83 -30.72 15.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.8 mt -120.2 -34.08 3.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttp85 -66.86 -48.6 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -59.32 -41.67 89.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.28 -45.81 79.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.56 -52.01 59.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.49 -31.41 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -48.59 59.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -78.95 -11.05 59.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.68 -40.97 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.563 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -105.03 -46.67 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.99 -45.7 1.06 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.563 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 31.4 ttm180 -160.23 94.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.493 ' ND2' ' H ' ' A' ' 52' ' ' PHE . 2.5 t30 -157.32 147.5 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -146.73 53.68 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.493 ' H ' ' ND2' ' A' ' 50' ' ' ASN . 62.8 m-85 -151.35 156.45 34.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.628 0.728 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 136.94 34.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -174.87 176.33 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 mp -102.41 117.05 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.3 143.75 27.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.69 103.64 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.02 -91.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -131.43 22.04 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -128.2 146.83 50.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -118.17 118.57 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -69.72 -75.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.51 -47.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.66 132.51 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.6 p -53.21 -42.01 65.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.344 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.09 -25.64 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -41.54 77.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -34.77 73.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -71.84 -53.1 14.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.1 78.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.037 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.8 mt -59.64 -48.9 79.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -56.28 -41.06 75.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -80.87 -15.94 54.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -22.49 31.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.5 -4.87 3.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -80.15 0.89 30.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tp -50.73 -40.9 55.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -54.18 -50.16 67.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -64.88 -48.99 72.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.67 -36.79 64.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -50.67 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -60.49 -25.23 65.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.81 -52.54 6.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.3 m -66.74 -20.41 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.4 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.746 0.308 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.28 146.42 38.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.61 137.59 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -132.25 150.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.8 115.56 16.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -94.28 107.71 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.31 -179.15 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 11.5 ptm180 -87.68 158.31 51.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.8 -8.27 23.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -103.68 56.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.7 p -114.85 99.54 52.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -7.41 20.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -101.76 -41.6 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -55.64 -22.7 24.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -48.8 -32.48 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -41.52 88.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.16 -54.88 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -32.45 70.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.53 -42.49 67.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -49.36 76.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.77 -56.47 13.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -52.15 -36.93 52.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -77.82 -28.25 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -31.46 67.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.43 1.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 m -132.32 173.61 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 104.24 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -92.14 144.57 25.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -102.47 113.45 26.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -84.49 113.37 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mm -96.22 120.36 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.3 143.58 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.0 -17.62 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.5 m -49.13 110.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.7 p -64.7 -24.43 67.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.7 m -49.19 -31.89 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.39 -35.08 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -36.52 77.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -67.4 -37.51 83.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.44 -36.04 68.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.82 -46.53 30.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.5 p -64.37 -38.72 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -75.35 -35.4 61.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -79.31 -17.33 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.33 -40.79 10.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -97.59 -47.6 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.72 -29.07 2.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.601 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 18.6 tpt180 -177.72 98.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -143.69 149.69 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -141.59 31.93 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -151.05 154.13 33.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 144.64 54.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -174.64 177.26 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.9 mp -102.08 128.68 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.12 145.96 33.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.1 mt -134.13 91.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.92 -98.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -115.54 29.67 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -149.06 119.84 7.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -93.45 119.47 32.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.69 -75.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.77 -58.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -120.43 173.5 15.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.0 m -73.01 -66.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.18 -26.17 26.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.71 -47.26 67.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.86 -37.6 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -51.21 58.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.15 -38.84 80.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.66 -55.83 17.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.13 -27.99 62.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -86.24 -23.39 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.46 -21.64 35.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.09 0.54 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -86.77 9.68 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.79 -42.83 98.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -51.09 -44.87 61.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -71.3 -45.31 63.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.08 -52.71 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mt -65.22 -51.45 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -56.87 -23.92 47.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -88.12 -64.69 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.5 m -51.51 -29.19 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.748 0.308 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -137.89 146.99 44.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.09 137.26 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.42 144.17 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.01 118.34 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -100.06 108.18 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.41 -179.8 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -88.27 155.54 51.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.19 14.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.52 16.62 9.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.8 p -80.03 114.12 43.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -14.52 36.23 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -80.12 -36.21 35.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 m -60.74 -24.86 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -40.94 42.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -64.57 -53.23 51.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -54.73 43.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -58.42 -33.93 70.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -64.61 -48.61 74.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -50.01 73.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.25 -57.0 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.72 -30.91 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -75.05 -36.13 61.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -71.57 -31.8 67.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.41 45.09 1.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.85 168.83 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -107.91 108.0 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -96.79 145.39 25.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.3 m -108.01 121.34 44.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -86.87 128.01 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.3 mm -113.77 121.29 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -54.29 142.14 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.13 -18.26 57.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 m -50.81 108.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.7 p -54.28 -25.93 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -50.72 -30.84 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mp -122.81 -29.46 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -71.16 -39.07 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.92 -46.33 75.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -70.11 -31.59 69.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.2 mtt -75.37 -51.48 13.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -62.75 -36.15 74.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -75.63 -36.39 60.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.1 tpt85 -80.84 -13.43 58.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.74 -41.15 8.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.71 -40.07 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.71 -46.41 0.86 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -169.77 101.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -153.83 151.11 29.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -141.26 48.41 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -151.53 151.76 29.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.748 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.8 66.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.75 177.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.77 118.1 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.81 138.83 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 pt -145.7 122.02 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 50.41 44.0 44.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 65.35 28.21 11.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -137.39 109.72 7.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -66.86 142.85 57.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.4 -69.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.04 -82.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.13 171.2 20.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.3 t -72.39 -61.06 1.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -54.36 -25.68 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.09 -47.68 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.74 -38.32 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -53.53 27.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.87 -46.69 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.84 -50.08 74.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -30.86 64.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -85.16 -25.72 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -77.98 -22.04 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.72 -0.8 5.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -85.55 6.86 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -39.37 73.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -53.97 -50.12 67.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -65.44 -50.94 63.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -54.69 -42.09 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.51 -47.18 76.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -67.33 -21.88 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -83.21 -37.42 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.71 -26.99 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.088 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.735 0.303 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.72 146.95 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.411 HD13 ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -111.21 137.87 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.0 mt -131.45 126.19 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -106.47 127.62 53.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -104.39 114.76 29.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.12 -178.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.426 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -85.87 158.21 56.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.76 -5.3 15.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -121.55 60.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.6 p -119.97 108.39 38.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.642 0.734 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.95 22.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -88.11 -34.76 17.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.0 m -55.34 -24.42 29.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -48.78 -38.33 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -53.83 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.02 -54.16 50.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -59.01 -34.01 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.72 -49.02 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.78 -53.48 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -57.7 9.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.38 -39.49 83.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -55.6 -41.65 73.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -77.2 -31.96 55.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.76 59.51 0.78 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.28 171.45 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -109.17 111.22 22.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -101.15 144.8 29.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.3 m -102.6 116.46 32.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.5 115.38 23.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.3 mm -99.84 120.33 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.38 142.34 13.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.18 -16.89 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -51.4 103.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.0 p -53.16 -28.16 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 t -50.2 -31.28 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 mt -118.66 -37.43 3.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.49 -49.46 75.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -53.2 -39.74 63.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.45 -49.84 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -51.47 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.13 -35.77 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -59.98 -50.27 74.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -13.18 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.6 55.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.59 -38.54 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 140.67 -38.69 1.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -167.58 103.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -163.32 153.34 15.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 t -149.7 55.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -151.44 154.06 33.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 146.01 59.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.65 177.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 mp -102.28 113.92 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.93 137.53 33.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.9 pt -140.87 121.16 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.17 44.25 26.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.18 31.81 6.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -140.45 105.16 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -64.4 142.55 58.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -106.77 -68.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.68 -111.34 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.19 173.73 44.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.5 p -66.12 -38.74 88.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -75.1 -26.29 59.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -55.22 24.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.85 -38.69 70.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -52.81 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.93 -52.85 56.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.88 -47.68 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.43 -35.41 67.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.66 -23.14 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -78.41 -22.3 47.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.58 -2.2 3.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -83.08 3.41 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.74 -43.82 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -44.06 68.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -69.28 -52.83 23.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.32 -52.51 61.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.25 -54.53 45.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -58.75 -22.57 58.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -81.32 -68.6 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.0 m -50.72 -30.58 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mptt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.766 0.317 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -134.51 146.78 50.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.45 138.21 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.19 134.45 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp -114.74 120.87 41.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -97.8 107.59 20.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.81 -178.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.443 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 2.9 ptp85 -86.23 158.49 55.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.79 -6.12 17.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -121.02 61.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 p -118.78 109.35 39.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.643 0.735 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.15 20.32 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -94.91 -59.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 p -53.57 -23.33 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -48.33 -32.5 7.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -66.87 -43.17 84.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.16 -54.89 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -32.09 68.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -70.7 -43.83 68.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.28 -49.47 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.77 -56.08 20.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.9 -38.12 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -77.76 -26.2 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -32.44 68.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.82 34.54 3.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 m -120.57 172.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 111.14 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -107.75 115.97 31.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -110.25 142.88 41.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.0 m -101.49 116.0 31.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.42 112.49 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.1 mm -98.14 118.21 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -54.09 143.05 23.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.09 -15.83 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -50.14 103.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -53.8 -25.88 21.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -49.47 -31.68 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -124.6 -35.46 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -60.21 -34.87 74.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.73 -40.16 91.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.21 -37.34 72.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.12 -50.47 22.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.7 p -60.85 -38.4 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -75.36 -33.97 61.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -79.0 -17.02 56.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.47 -41.09 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.96 -45.08 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.07 -6.81 3.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -173.43 155.45 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -63.85 149.94 45.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.78 -178.23 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.401 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 13.8 p90 -59.96 157.47 30.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.0 Cg_endo -69.76 157.69 59.52 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -176.04 -179.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.65 112.82 27.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.25 143.7 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 pp -138.8 119.83 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 51.52 -102.16 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.3 40.76 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -154.22 147.66 25.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -105.64 111.06 23.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.94 -74.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.44 -81.18 0.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -109.11 160.4 13.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.8 p -62.28 -37.1 84.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -74.62 -26.69 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -55.09 -55.55 29.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.76 -37.12 73.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -51.43 65.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.28 88.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.89 -56.32 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.43 -26.65 61.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -86.08 -24.81 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.55 -22.22 41.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.84 -0.64 4.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -85.83 8.86 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.51 -37.89 73.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.63 -44.92 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -72.96 -49.37 29.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.69 -40.6 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.3 -45.23 48.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -61.15 -24.78 66.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.5 -59.69 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.9 m -56.55 -25.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.7 t60 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -132.64 146.26 51.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.33 137.73 47.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.5 mt -129.59 149.02 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.81 114.42 18.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -96.78 113.34 24.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -176.1 179.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.439 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -87.45 157.12 53.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 110.838 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.75 -16.34 37.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -94.77 36.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -106.87 94.4 10.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.59 26.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -72.93 -9.65 58.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.7 m -75.4 -21.81 57.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -47.24 -38.43 12.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -62.68 -47.5 83.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -57.64 12.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -53.63 -34.79 59.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -67.3 -41.93 84.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.03 -51.39 69.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.67 -55.65 28.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.5 -39.81 70.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -62.36 -40.18 95.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -32.54 69.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.54 50.42 1.84 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.18 176.49 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.934 0.397 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -108.54 117.63 34.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -112.19 148.12 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.9 m -114.34 121.5 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -85.72 130.41 34.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.0 mm -116.08 121.02 66.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -52.06 142.95 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.45 -17.65 55.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -50.5 106.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.1 p -58.92 -25.25 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.4 p -50.13 -31.52 13.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.52 -34.33 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -62.74 -42.8 99.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.31 -42.12 90.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.22 -45.4 76.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -51.28 65.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.59 -30.3 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.28 -46.15 57.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -79.13 -13.58 59.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.7 -40.75 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.6 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -102.97 -48.15 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.96 -40.24 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.6 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 46.5 ttm-85 -165.55 88.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -148.57 145.98 28.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 t -143.37 48.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -151.45 152.72 31.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.666 0.746 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.02 36.97 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.729 2.286 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.21 177.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.72 132.25 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.82 143.07 45.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.07 107.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.66 -91.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -132.99 23.4 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -132.86 138.6 47.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -110.12 117.46 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.92 -75.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.95 -47.29 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.71 159.82 23.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.3 m -70.94 -53.82 13.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -55.68 -25.22 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -46.83 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.73 -36.51 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -70.62 -53.55 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.43 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.6 mt -56.57 -48.27 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -56.26 -40.21 73.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -79.44 -19.5 49.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -81.61 -22.48 37.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.23 -7.46 2.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -73.06 -5.93 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.11 -42.75 29.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.28 -50.49 69.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 t -63.41 -50.8 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.8 -34.29 62.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -53.11 16.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -60.59 -24.99 65.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -81.19 -59.33 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.7 m -62.13 -23.48 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.686 0.279 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -142.93 147.35 35.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.417 HD12 ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -107.78 137.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -133.36 144.09 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.67 114.44 22.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -101.82 107.47 18.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.2 -178.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -86.6 156.78 55.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.617 0.723 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.79 19.43 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.709 2.272 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -96.94 48.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 p -117.11 97.61 50.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -7.28 20.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -95.36 -20.89 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.3 m -53.89 -25.86 22.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -50.21 -33.01 17.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -49.54 60.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -54.91 38.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -36.42 75.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.92 -48.93 76.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.92 -53.21 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -57.75 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.89 -37.02 75.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.52 -41.6 85.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -32.25 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.01 53.59 1.17 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -125.57 177.95 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 114.19 27.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -104.58 144.91 31.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -109.45 119.39 39.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -84.95 134.96 34.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.3 mm -124.19 120.79 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -56.6 143.04 37.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.8 -16.1 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.6 t -49.8 106.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -56.22 -24.96 45.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -49.86 -31.51 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -124.43 -34.57 2.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 ttp85 -62.2 -36.23 81.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -66.53 -37.48 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -70.4 -48.7 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -51.48 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 p -62.84 -36.34 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.03 -51.3 69.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -79.0 -13.09 60.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.12 -41.09 43.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.29 -45.96 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.96 -57.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.545 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -152.68 116.36 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -153.46 160.69 42.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 m -154.34 36.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -147.11 144.26 19.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.53 54.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.374 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -176.76 179.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.6 mt -96.29 142.87 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.97 139.7 53.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.5 pt -142.56 122.78 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.0 44.82 19.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 66.56 33.67 6.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -144.12 106.14 4.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -65.61 142.7 57.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.34 -56.78 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.98 -110.57 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.74 -177.55 51.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -61.72 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.26 -26.25 27.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -52.97 -55.25 24.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 pp -56.78 -36.04 69.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -53.01 28.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.77 -52.8 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.14 -47.4 85.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -33.82 66.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -86.53 -20.28 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -80.44 -22.12 41.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.72 -3.14 3.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -80.94 1.97 28.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.09 -44.34 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -52.93 -43.7 66.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.2 t -68.51 -52.23 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.61 -51.45 65.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -41.22 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -67.49 -23.52 65.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -87.71 -44.44 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.0 m -74.47 -23.64 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.739 0.304 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -141.41 147.22 37.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.414 HG21 ' HA ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -119.13 136.78 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.5 mt -134.5 150.98 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.41 114.82 20.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -99.34 109.14 21.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.96 -179.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.202 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -88.86 155.77 49.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.0 22.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.232 . . . . 0.0 112.359 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 63.56 19.33 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.1 p -82.59 120.13 76.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -44.13 2.23 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -52.69 -35.61 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -55.79 -25.2 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -49.48 -41.67 41.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.81 -53.93 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -57.53 12.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -52.92 -35.47 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -70.03 -37.62 75.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.43 -53.93 44.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -45.53 85.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.68 -32.24 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -76.24 -36.47 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -71.49 -32.44 68.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.4 49.1 2.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.98 175.33 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.08 108.76 19.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.414 ' HA ' HG21 ' A' ' 4' ' ' ILE . 32.6 p90 -101.67 145.71 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 66.6 m -105.26 128.37 53.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.4 138.1 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 mm -125.48 122.4 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -59.31 142.79 51.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.53 -16.94 58.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m -50.13 105.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -52.44 -27.46 16.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m -49.7 -31.68 11.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.2 mt -121.89 -33.7 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -63.84 -45.75 88.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -58.29 -40.69 82.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.84 -47.6 68.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -61.75 -52.28 64.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.96 -33.92 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.38 -51.51 62.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -78.69 -10.65 59.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.44 -41.89 21.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.456 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 1.9 p-10 -130.58 -38.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.44 -47.26 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.456 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 11.8 ptm180 -170.76 161.4 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -176.21 156.9 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 p -139.23 17.4 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -151.41 152.85 31.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.679 0.752 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.55 67.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.302 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -174.65 178.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 mp -101.64 134.41 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.68 137.59 47.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 pp -149.12 129.26 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.16 56.6 6.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 49.28 34.11 5.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -140.85 112.73 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -73.55 123.1 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.7 t -86.9 -75.1 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.23 -105.07 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.3 163.1 37.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.81 -55.18 32.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.338 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.12 -26.25 37.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -52.61 -55.45 22.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pp -56.2 -36.06 67.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -52.97 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.42 -51.75 61.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.51 -48.84 80.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -56.74 -32.68 65.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -85.85 -21.89 27.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -22.0 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.92 -1.95 4.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.438 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.66 6.99 25.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.45 -43.03 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -53.46 -49.87 66.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.2 t -62.75 -50.97 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.14 -47.88 74.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -38.76 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.07 -23.98 60.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.89 -30.98 25.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.1 m -88.54 -25.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.756 0.313 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.37 146.76 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.52 137.24 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.5 mt -131.43 123.62 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -103.5 122.78 45.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.56 114.92 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.48 -178.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.501 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -86.49 161.71 47.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.858 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -7.11 20.21 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.703 2.269 . . . . 0.0 112.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -98.88 47.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -107.66 90.53 6.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.37 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -63.71 -27.01 68.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -53.63 -22.67 9.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -46.99 -33.88 5.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.16 -48.55 81.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -54.16 35.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -59.12 -31.21 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.82 -48.32 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.33 -45.38 91.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -58.14 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -56.75 -38.6 72.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -66.31 -35.94 81.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -71.38 -31.84 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.61 44.85 1.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.84 168.96 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.98 104.57 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -95.63 142.26 28.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -107.02 124.47 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -91.29 112.12 23.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.0 mm -95.04 117.57 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.01 143.68 54.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.23 -24.2 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -48.26 116.38 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.5 p -62.71 -23.29 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 p -51.02 -31.87 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -123.98 -26.1 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -74.6 -43.02 57.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.45 -47.48 83.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -48.16 70.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.4 tpp -61.35 -50.15 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 t -57.36 -49.68 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -53.99 -46.94 71.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -78.79 -10.41 59.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.92 -41.96 22.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -118.14 -43.57 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.37 -16.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -159.24 161.13 35.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -78.44 157.26 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 t -175.79 -171.48 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.405 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 11.3 p90 -59.94 157.67 29.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.1 Cg_endo -69.7 154.2 68.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -175.76 -178.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.54 112.76 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.16 141.25 28.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.49 115.19 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.15 -98.04 0.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -128.95 29.95 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.833 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -142.69 147.22 35.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -107.34 106.11 16.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.7 t -53.79 -74.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.4 -55.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.06 148.98 16.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -67.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -54.34 -26.35 29.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -52.61 -41.97 64.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.55 -36.78 84.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -52.9 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.12 -52.37 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.7 mt -59.46 -46.57 88.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.65 -42.67 75.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -80.82 -16.66 53.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.15 -22.33 36.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.26 -5.72 3.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.46 3.33 28.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -43.13 61.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -45.15 69.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.8 t -68.52 -50.62 50.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.71 -52.32 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -49.46 77.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -61.1 -24.31 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.41 -63.46 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.4 m -52.84 -32.66 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.735 0.302 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.0 146.24 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.5 138.19 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 mt -132.95 151.92 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.41 114.21 15.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -93.89 116.81 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.91 178.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -88.33 155.67 51.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.86 26.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.27 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 63.78 18.76 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.6 119.36 76.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -44.87 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.27 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -52.32 -34.89 49.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.6 m -54.78 -25.7 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -50.04 -36.89 30.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -66.09 -53.24 40.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.92 -57.28 11.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -35.49 42.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.62 -40.03 73.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.38 -54.01 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.09 -44.98 87.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.41 -28.7 69.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -77.54 -40.19 43.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -31.9 68.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.61 54.99 1.03 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -133.18 172.7 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.388 . . . . 0.0 111.121 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -110.97 97.49 6.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -88.28 139.71 30.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.3 m -98.53 124.6 43.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.0 125.71 39.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.1 mm -107.4 120.93 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -61.36 143.03 56.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -19.81 36.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 m -48.92 118.41 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.8 p -63.79 -24.08 67.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m -49.7 -31.6 11.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.7 mt -124.22 -35.44 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -61.65 -39.99 93.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -61.51 -40.59 95.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.26 -49.69 63.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -63.02 -52.09 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.14 -31.71 48.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.26 -50.38 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -77.68 -9.75 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.91 -41.17 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.63 -39.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.33 25.91 62.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -118.99 -14.43 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 51.18 89.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 -170.25 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.09 159.97 18.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.685 0.755 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.38 63.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.344 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.08 -179.24 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -94.3 120.63 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.96 152.34 18.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pt -149.0 104.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.36 -87.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -138.0 20.29 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -131.69 149.12 52.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -110.85 115.35 29.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.0 t -54.98 -73.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.13 -33.62 2.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.12 170.08 33.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.529 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 t -68.23 -66.75 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.734 0.302 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -55.07 -26.28 36.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -52.92 -55.17 25.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pp -53.81 -36.39 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -52.78 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.67 -51.27 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.89 -46.77 88.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -55.78 -39.79 71.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -81.7 -20.59 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -78.62 -22.44 46.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.97 -2.21 4.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -81.85 1.69 33.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.44 -39.43 57.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.24 -49.39 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.2 t -68.28 -49.01 63.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.42 -42.53 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mp -72.28 -41.64 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.42 -26.63 68.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.958 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -83.87 -53.81 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.52 -32.2 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -128.26 147.54 50.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -105.46 138.09 32.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 mt -133.25 122.03 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.67 128.25 52.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -106.97 107.69 18.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.65 -178.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 156.48 54.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 169.31 19.2 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 66.88 11.23 8.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 p -61.49 111.34 4.18 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.616 0.722 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -41.76 4.04 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.759 2.306 . . . . 0.0 112.318 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -69.54 -43.14 73.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -22.88 51.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -48.73 -32.78 9.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -65.51 -51.25 61.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.22 -54.03 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.17 -34.85 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.95 -48.94 76.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.81 -45.82 92.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -58.23 9.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -59.7 -32.03 70.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -67.81 -36.75 80.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -76.12 -32.32 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.02 57.64 0.72 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -135.8 170.42 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -109.22 106.36 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -96.77 145.88 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.0 m -105.1 119.59 39.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.0 111.29 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mm -95.92 121.47 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -55.94 142.41 35.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.91 -18.21 55.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.3 t -50.97 107.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.1 p -54.3 -25.74 25.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -51.06 -31.4 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mp -121.39 -30.4 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -70.0 -45.73 66.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -58.98 -45.9 89.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -68.32 -41.1 81.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -51.9 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.77 -35.3 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -62.03 -50.85 70.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -78.88 -14.3 59.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.84 -41.57 52.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.22 -47.18 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.5 -54.99 0.53 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -142.1 107.07 4.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -173.82 149.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 t -153.49 55.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -151.32 155.33 34.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.749 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 145.02 56.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.722 2.282 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.5 177.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 mp -99.7 110.67 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.4 137.82 33.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -146.44 118.25 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.53 44.48 22.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.449 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 t70 71.9 30.12 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 57' ' ' ILE . 85.0 t80 -133.44 111.0 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -85.24 130.58 34.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.47 -73.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.3 -84.04 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.45 153.33 26.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.0 p -70.53 -35.1 72.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -73.35 -26.29 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -52.84 -54.02 40.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pp -52.9 -38.15 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.98 -52.64 26.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.43 71.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.44 -48.41 81.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.12 -35.71 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -85.07 -19.5 31.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -22.12 38.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.62 -2.4 4.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.426 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -89.64 13.01 15.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -41.0 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -53.47 -47.16 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.8 t -67.64 -50.21 59.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.51 -52.42 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -44.63 96.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.16 -31.49 69.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -76.27 -60.32 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.8 m -53.46 -34.08 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.737 0.303 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -130.08 147.66 51.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.65 137.65 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.2 mt -134.16 129.11 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -105.88 121.71 44.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -105.3 112.23 25.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.05 179.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -87.82 158.3 50.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.889 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.81 -7.9 22.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -97.72 32.6 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.4 t -107.84 91.68 7.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.09 24.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.8 -14.95 63.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.91 -21.26 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -47.38 -33.77 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -62.28 -54.48 40.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -56.91 15.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -53.11 -32.25 46.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.23 -40.23 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -45.03 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mt -68.9 -50.68 47.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.33 -26.96 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -77.28 -40.54 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -71.18 -31.96 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.61 54.88 1.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.96 175.8 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.54 106.62 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -100.11 144.32 29.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.3 m -103.19 123.51 46.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -87.23 126.67 34.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.9 mm -116.91 120.17 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.18 143.33 55.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.82 -18.35 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -49.11 112.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.8 p -60.85 -24.59 66.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 p -49.37 -31.54 9.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -124.22 -36.14 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -61.61 -42.4 98.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.1 -38.0 75.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -70.75 -51.54 26.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -59.03 -51.46 69.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.4 -35.56 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.19 -50.61 72.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -10.83 59.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.71 -42.53 28.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -114.02 -38.54 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 147.04 -40.98 0.98 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -142.6 147.52 35.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -51.41 157.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.55 -178.6 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 10.1 p90 -60.14 155.36 45.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.4 Cg_endo -69.69 154.63 67.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 0.0 112.371 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -174.42 -178.11 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.6 mt -94.79 115.34 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.36 139.44 31.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.8 pt -141.51 121.47 11.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.34 44.72 28.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 66.77 31.51 7.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -141.44 104.9 4.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -63.59 142.96 58.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.9 t -107.04 -66.91 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.01 -82.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.33 -176.18 18.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.1 m -74.96 -56.36 4.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -54.32 -26.53 30.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.18 -54.6 33.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pp -57.82 -35.37 70.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -53.19 26.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -48.07 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.97 -45.54 88.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -56.61 -36.11 69.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -86.36 -22.26 26.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.45 -22.74 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.27 -2.73 6.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.61 7.0 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -40.01 67.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.43 -49.89 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.9 t -64.92 -49.44 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.79 -50.22 69.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -35.8 82.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.09 -27.47 65.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -81.0 -44.84 17.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -73.22 -28.27 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -142.16 146.31 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.42 137.37 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.2 118.65 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pp -99.4 124.17 44.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -99.57 106.23 18.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.35 -179.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.161 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -113.66 158.16 39.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.913 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.74 -2.58 10.4 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.62 2.213 . . . . 0.0 112.377 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -71.92 -54.48 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 p -58.89 120.42 46.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.615 0.721 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -38.81 7.22 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -38.06 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.9 m -53.73 -26.09 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . 18.7 mttm -52.22 -32.75 38.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -63.68 -52.44 60.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 -57.72 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 14.4 ptp180 -54.34 -36.08 63.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.49 -37.2 79.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.59 -54.42 43.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.43 -48.14 82.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.11 -27.02 69.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -41.58 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -71.04 -32.01 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.34 54.79 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.48 170.92 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 92.69 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -85.22 143.85 28.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.9 m -98.3 111.12 23.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.48 112.0 19.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mm -94.85 123.39 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.88 143.54 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.98 -23.11 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 m -48.82 104.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.6 p -57.56 -23.58 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.5 p -49.93 -31.63 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -123.32 -33.57 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -42.62 91.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -63.6 -43.3 97.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.42 -42.09 88.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.2 tpp -68.43 -51.57 42.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.77 -30.42 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -74.31 -45.97 44.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -78.5 -10.9 59.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.26 -40.82 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.606 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -105.35 -46.95 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.54 -35.64 2.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.606 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 35.6 ttm180 -177.13 89.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -120.0 157.35 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.0 t -147.59 27.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -151.74 147.4 20.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.03 55.76 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.68 177.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mp -97.42 116.8 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.12 144.1 26.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.68 110.75 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.6 -92.4 0.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -134.25 24.06 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.333 . . . . 0.0 110.836 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -136.33 147.27 47.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -108.94 110.68 22.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.2 t -51.34 -74.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.93 -49.67 0.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -149.22 167.74 29.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.7 p -63.78 -38.88 92.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.74 -26.38 57.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -59.85 -55.56 32.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pp -54.67 -38.33 66.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -53.41 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.67 -48.33 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.6 mt -59.36 -49.37 78.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -32.01 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -83.82 -25.0 30.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -78.72 -22.28 46.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.22 -0.43 4.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -85.26 6.25 26.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.04 -46.77 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -50.58 -41.77 54.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -70.61 -47.91 57.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.02 -52.55 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.28 -43.3 98.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -58.5 -34.23 70.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -75.93 -62.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -53.15 -32.51 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.779 0.323 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -131.41 145.87 52.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.3 137.27 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mt -132.31 123.88 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.93 127.36 47.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -107.05 112.52 25.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.45 -179.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.423 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 4.9 ptp180 -90.63 158.23 43.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.638 0.732 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -101.66 33.68 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.7 t -106.96 94.13 10.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.633 0.73 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.34 23.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.389 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -13.09 61.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.1 m -74.06 -22.56 59.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -47.96 -33.64 8.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -64.28 -54.82 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 -57.5 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -53.76 -36.06 61.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -64.5 -40.34 95.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -49.37 72.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.5 -56.29 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -59.47 -31.77 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -66.02 -41.79 90.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -72.02 -32.38 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.41 52.06 1.09 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -128.23 172.82 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.964 0.411 . . . . 0.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 113.52 27.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -105.01 143.81 32.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.8 m -104.72 117.33 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.141 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -84.23 119.28 24.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.4 mm -107.53 119.26 56.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -66.75 143.8 56.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.7 -19.42 26.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -47.25 105.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -53.66 -25.52 18.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.7 m -49.56 -31.69 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.1 mt -123.47 -35.17 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -37.52 79.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.87 -41.71 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -66.83 -45.6 77.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.3 mmt -66.58 -52.24 47.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.32 -32.05 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -70.63 -50.59 35.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -74.16 -10.42 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.35 -40.76 11.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -136.43 -34.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.21 49.85 2.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -175.58 138.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -93.31 134.35 35.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.04 -170.24 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -60.19 160.63 16.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 142.96 49.09 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.638 2.226 . . . . 0.0 112.363 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -153.78 179.62 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.86 116.37 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.35 132.65 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.7 pt -138.06 130.21 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.81 51.36 10.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 55.55 34.09 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -142.73 108.65 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -63.62 138.02 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.8 t -105.77 -69.75 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.9 -123.89 1.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.63 173.2 52.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.1 m -58.95 -61.79 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.36 -26.41 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -52.79 -55.31 23.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 pp -56.33 -36.49 68.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -53.2 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.87 59.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.88 -48.06 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.78 -34.14 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -83.27 -22.68 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -79.74 -22.24 43.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.56 -1.06 4.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -85.02 5.12 30.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 tt -51.87 -48.58 63.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.78 -41.82 57.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.8 t -68.43 -48.51 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.9 -52.87 63.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.08 -39.42 89.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -71.84 -22.67 61.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -86.52 -33.41 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.4 m -87.44 -24.77 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.713 0.292 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.99 147.01 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.54 137.63 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.5 mt -134.34 150.64 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.99 114.03 18.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -95.66 107.38 19.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.73 -178.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.1 155.93 54.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.72 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -93.77 52.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 p -123.97 98.47 39.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.663 0.744 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -7.32 20.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.5 -20.49 18.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 m -54.76 -25.77 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -50.13 -36.79 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -64.13 -50.58 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.4 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -31.08 70.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.57 -49.11 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.29 -52.41 64.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.21 -56.42 22.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.03 -29.71 60.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -40.63 75.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -70.91 -31.88 68.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.17 54.09 0.86 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.444 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 m -131.54 166.06 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -105.6 107.58 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -94.96 145.67 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.6 m -110.44 120.37 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.86 126.0 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.5 mm -111.53 117.74 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -53.09 143.54 17.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.56 -17.86 48.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 m -48.74 110.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -63.43 -24.27 67.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.6 p -49.62 -31.48 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 mt -125.32 -35.13 2.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 tmm_? -61.55 -35.74 78.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.55 -41.22 93.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.06 -35.63 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.9 tpp -73.92 -50.78 18.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.7 p -61.43 -37.35 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -75.86 -35.02 60.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -79.62 -15.63 57.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -40.89 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -39.48 9.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.87 -74.76 0.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -106.65 127.91 53.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -49.93 139.73 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.8 -169.87 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -60.18 161.03 14.15 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.54 179.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.42 116.85 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.93 136.79 34.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.9 pt -140.72 122.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.34 43.61 26.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 66.55 31.85 7.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -140.16 108.38 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -63.83 142.51 58.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.89 -31.58 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.24 -73.74 0.38 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.14 150.77 17.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -35.46 76.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.29 -26.36 65.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -36.93 77.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -68.53 -34.96 76.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 12.8 m-85 -72.75 -53.18 12.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.0 86.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.061 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.84 -53.08 44.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -55.49 -37.81 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -82.21 -21.24 36.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -22.74 42.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.72 -3.25 4.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -80.85 2.31 26.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.18 -43.99 52.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.86 -49.98 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.5 t -65.83 -40.83 92.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.07 -44.79 96.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.92 -43.02 89.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -71.68 -20.93 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.23 -34.32 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.4 m -85.97 -20.69 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.714 0.293 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.0 146.68 34.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.93 137.06 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 mt -129.74 148.41 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mt -115.54 139.27 50.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -123.2 106.52 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.46 -178.25 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -86.49 156.82 56.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.882 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.73 -7.63 21.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -96.17 48.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 p -114.19 94.98 37.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.63 21.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.18 -11.53 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.76 -25.9 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -50.15 -35.6 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.1 mmt-85 -64.05 -50.04 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.51 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -61.55 -30.86 70.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.07 -49.74 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -53.21 59.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -56.99 14.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.22 -44.5 79.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -55.49 -41.04 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -71.36 -33.0 69.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.8 52.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.5 m -129.24 -176.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -122.35 109.96 15.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -100.43 141.57 33.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.1 m -110.39 110.75 21.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -78.07 136.93 37.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mm -121.16 120.99 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.89 144.46 38.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.41 59.43 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -127.16 105.52 8.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 p -47.21 -29.03 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.69 -31.53 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.91 -38.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -57.97 -33.14 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -62.36 -44.06 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -69.75 -44.9 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -52.58 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 p -62.44 -32.75 56.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -65.71 -51.18 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -78.74 -10.59 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.87 -41.75 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.41 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 2.1 p-10 -132.21 -36.72 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.5 -55.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.41 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 31.6 ttm180 -173.34 124.41 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -139.78 172.9 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.8 m -158.29 30.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -151.61 151.45 28.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.78 52.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.748 2.298 . . . . 0.0 112.366 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -178.21 178.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.53 131.84 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -102.92 135.74 44.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 mm -123.49 101.64 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 52.45 -101.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -114.71 37.09 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -149.01 147.44 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -109.96 118.93 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.48 -74.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.6 -47.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.3 144.69 16.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.2 p -64.94 -36.8 85.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -68.0 -26.15 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -36.54 76.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -70.05 -35.75 74.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.407 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 12.5 m-85 -71.41 -53.39 14.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.07 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.95 -49.15 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.12 -42.07 76.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.7 -20.68 53.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -23.0 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.13 -7.34 3.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -77.89 -1.53 32.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.71 -40.61 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -55.11 -50.0 70.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.9 t -68.32 -47.02 68.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.64 -51.79 64.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.89 -46.64 83.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -61.2 -24.92 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -87.0 -62.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.9 m -52.04 -31.58 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.1 m170 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mptt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.775 0.322 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.06 147.06 44.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.33 138.01 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -132.78 151.15 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.34 114.0 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -96.21 107.48 19.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.41 -178.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -86.87 156.88 55.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -6.89 19.65 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -100.25 53.54 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 p -120.76 101.49 45.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -7.84 22.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -92.19 -25.79 18.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.7 m -55.84 -25.35 41.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -49.67 -39.72 37.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -64.46 -53.74 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.26 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -57.25 -33.9 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -69.11 -39.9 78.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 tp -65.07 -46.5 80.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mt -68.06 -47.85 67.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -63.07 -29.38 70.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -76.31 -39.0 55.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -71.54 -32.0 67.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.15 49.84 1.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.16 172.65 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 111.109 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.12 105.73 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -97.47 144.63 27.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.2 m -107.88 117.73 34.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.44 121.43 27.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mm -106.92 118.96 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.35 143.18 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -17.54 51.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 t -49.6 104.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.0 p -54.45 -26.23 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.5 m -49.73 -31.4 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tp -121.9 -35.05 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -46.8 81.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -41.1 71.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -68.24 -49.47 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.3 -51.81 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.11 -33.73 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -61.94 -51.44 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.03 -12.7 59.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.15 -41.6 41.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.46 -43.96 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.13 27.92 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -176.24 173.21 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.81 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -145.3 143.21 30.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.75 -70.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -130.2 153.48 81.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.02 28.96 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.728 2.286 . . . . 0.0 112.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.73 178.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.6 mp -97.35 118.73 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.97 139.97 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.5 pt -141.92 120.93 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.68 43.24 29.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 67.73 31.43 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -140.7 108.04 5.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -63.03 142.91 58.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.3 t -101.73 -69.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.6 -68.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.25 -174.84 13.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.434 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.28 -64.41 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -55.25 -25.72 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.53 -55.28 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pp -52.08 -37.96 55.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.55 -51.04 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.01 82.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.82 -56.18 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -57.34 -27.8 62.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -86.43 -23.82 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -22.43 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.76 -1.2 4.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.91 11.33 16.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -39.69 72.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.72 -49.88 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.9 t -65.04 -49.21 71.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -54.9 -51.86 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.32 -39.74 91.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -70.22 -23.43 62.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -85.3 -40.54 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.96 -33.4 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 m170 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.718 0.294 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.6 148.17 37.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.428 HD12 ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -106.4 137.71 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.4 mt -138.94 114.5 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.03 130.56 35.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -107.15 107.43 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.91 173.89 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -87.57 156.61 53.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.09 7.25 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 65.72 13.56 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.3 p -84.96 114.56 56.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -16.17 37.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -78.13 -35.4 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.3 m -62.55 -24.73 67.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -49.35 -40.17 34.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -65.09 -53.3 47.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.29 -54.25 49.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -58.98 -33.98 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.29 -49.09 73.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.37 -47.58 85.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -58.25 9.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.11 -37.33 69.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -65.17 -37.63 87.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.26 -32.41 66.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.52 46.5 1.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -126.69 171.8 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 111.104 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.57 106.56 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -92.73 145.93 24.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.1 m -105.34 124.67 49.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.26 122.87 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.8 mm -109.18 116.67 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -63.38 143.72 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.65 -23.13 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.6 m -47.7 109.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -53.27 -25.72 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 t -49.24 -32.09 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 tp -125.59 -33.16 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.541 HH22 ' N ' ' A' ' 52' ' ' PHE . 1.4 tpt180 -65.56 -40.97 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -72.74 -44.28 61.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -66.72 -42.04 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.3 tpp -67.74 -52.31 38.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 p -61.51 -30.11 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.39 -48.31 42.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -78.33 -9.93 59.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 -40.73 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.607 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -111.03 -45.0 3.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.26 -38.52 1.85 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.607 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -175.49 105.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.851 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -152.85 154.78 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 t -146.79 17.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.541 ' N ' HH22 ' A' ' 39' ' ' ARG . 25.0 m-85 -117.23 148.27 42.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.86 46.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.74 178.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.4 mt -108.97 125.23 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.56 135.86 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.0 pt -144.52 122.93 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.42 42.89 19.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 66.72 34.26 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -142.77 112.83 7.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -68.94 142.63 54.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.5 t -109.63 -70.5 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.1 -134.14 5.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.01 -179.25 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.518 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.34 -56.54 4.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -54.99 -25.82 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.58 -55.14 24.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -53.93 -37.6 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -52.88 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.05 -52.53 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.43 -46.68 86.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -56.12 -39.6 72.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -80.94 -20.35 42.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -22.46 42.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.08 -4.48 3.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -79.15 -0.35 31.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tp -49.32 -46.94 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -53.08 -43.8 67.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 t -72.58 -52.86 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -53.37 -52.99 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.9 mt -61.11 -51.64 68.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -59.23 -22.34 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -82.3 -52.46 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 m -65.52 -22.78 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.721 0.296 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.15 144.56 47.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.66 138.36 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.0 mt -133.6 150.95 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.71 114.62 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -94.8 110.68 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.63 -178.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.447 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 11.2 ptm180 -87.15 158.92 52.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.81 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -106.19 55.89 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 5.3 p -113.72 98.53 47.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.74 -6.92 19.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -102.62 -41.47 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -54.58 -23.25 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -48.61 -39.15 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -62.36 -40.15 95.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.6 29.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.18 -32.09 69.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -71.43 -43.24 67.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -48.77 79.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.0 -57.23 9.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -52.51 -35.51 53.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -77.81 -28.41 50.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -31.89 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.69 54.24 0.65 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m -146.46 177.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.353 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -118.6 106.21 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -92.34 145.37 24.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.7 m -104.97 115.76 30.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -84.83 125.56 32.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mm -109.36 117.35 54.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.6 142.81 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.48 -18.54 52.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -50.91 114.74 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.5 p -66.48 -24.74 66.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 p -49.9 -31.45 12.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -123.18 -35.21 3.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -61.41 -39.95 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -58.78 -40.04 82.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -70.75 -49.62 44.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.8 tpp -59.73 -51.46 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.21 -35.04 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -61.48 -50.19 73.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -81.33 -11.35 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.4 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -113.53 -38.62 4.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.23 23.71 3.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -174.97 165.76 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.67 132.73 50.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.64 -170.61 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 10.6 p90 -59.63 157.8 25.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 53.3 Cg_endo -69.77 159.05 54.84 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.249 . . . . 0.0 112.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -175.02 -178.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.4 mp -94.17 119.15 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.29 148.9 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.8 mt -137.28 91.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.78 -86.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -130.44 15.39 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -128.97 129.92 46.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -99.49 116.73 32.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.72 -74.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.95 -8.65 7.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.9 169.03 41.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.8 m -82.35 -51.7 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.36 -25.37 23.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.5 -40.67 66.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -69.61 -37.37 76.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.412 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 16.7 m-85 -71.77 -52.9 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.12 -52.27 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.7 mt -57.86 -47.44 82.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -56.41 -39.32 72.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -85.3 -12.32 52.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -22.87 26.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.33 -6.73 3.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -77.09 -2.16 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.48 -43.53 65.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -51.75 -44.7 63.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -68.76 -50.06 53.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.73 -47.55 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.12 -47.39 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -61.64 -24.96 67.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -86.36 -62.21 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.7 m -52.01 -30.7 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.0 m170 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 121.411 0.45 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 170.02 17.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -85.87 -177.31 50.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 18.9 m -160.71 119.4 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 ptm -132.66 133.9 44.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.53 178.03 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.94 146.7 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.04 137.68 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -131.46 126.31 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.81 126.34 52.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -105.34 107.58 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.98 -179.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.095 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.439 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 20.8 ptt180 -87.61 158.69 50.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.79 -8.19 22.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.336 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -100.75 54.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 4.9 p -114.84 98.25 49.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.83 -6.35 18.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -103.59 -40.96 6.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.4 p -55.0 -23.48 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -48.68 -32.75 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -66.12 -47.05 75.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -54.07 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.04 -36.23 76.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.1 -48.55 78.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.55 -46.62 89.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.59 -58.05 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -58.86 -31.61 68.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -67.4 -40.16 85.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -72.0 -32.09 66.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.95 47.08 1.29 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.15 174.24 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.45 111.04 22.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -103.59 138.33 40.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.7 m -100.81 118.16 36.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -87.1 111.51 20.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.4 mm -97.61 121.83 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -58.32 143.2 45.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.14 -20.65 27.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 p -49.58 106.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.6 p -56.01 -24.65 40.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -50.91 -31.41 17.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.06 -29.97 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -70.07 -44.3 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -59.95 -45.99 90.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.05 -41.99 81.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -52.65 60.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.01 -34.47 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.75 -49.87 73.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.43 -11.07 59.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.32 -42.68 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -113.32 -38.24 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.99 -35.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -170.04 113.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -174.49 153.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 t -153.07 53.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -150.18 157.94 36.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.9 41.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.27 175.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mp -102.89 113.09 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.3 140.82 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.81 113.44 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.04 -96.98 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.525 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -129.26 30.99 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -142.95 147.14 34.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -111.2 105.05 13.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.33 -73.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.34 -75.26 0.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.27 160.74 23.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 43.3 t -70.87 -60.31 2.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.02 -26.05 34.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.47 -51.34 59.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.71 -36.55 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -52.97 27.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.16 -52.54 62.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.92 -48.32 81.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -56.57 -34.62 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -84.07 -21.45 31.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 -22.01 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.44 -2.84 3.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -84.17 4.56 29.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.85 -41.65 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -53.52 -47.33 70.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 t -66.76 -50.32 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.72 -52.32 62.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -39.54 93.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -67.9 -25.33 65.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -85.09 -49.18 8.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.58 -26.58 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 121.45 0.472 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 136.21 32.61 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -153.98 120.18 1.01 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.2 m -74.25 158.2 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.356 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 tpp -125.12 -43.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -98.21 150.55 21.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.43 146.24 41.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.21 137.82 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 mt -130.68 145.11 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.41 114.29 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -94.61 113.56 25.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.49 179.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.91 156.5 52.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -98.07 52.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 p -116.27 96.05 46.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -8.01 22.49 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.18 -12.18 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 m -54.28 -24.26 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -48.84 -39.58 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.2 mtt-85 -61.88 -54.56 40.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -58.17 9.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -54.43 -31.53 55.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.54 -43.94 75.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.4 -53.27 58.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.01 -51.48 67.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.93 -38.65 76.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -64.55 -39.13 93.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -32.58 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.42 45.65 3.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.2 176.17 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.945 0.402 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -106.67 114.41 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -106.94 146.97 30.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.012 0.434 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.7 m -115.99 117.24 29.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -82.63 133.62 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -119.34 120.46 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -53.56 143.51 19.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.16 -18.95 40.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -50.24 104.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p -52.55 -27.44 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t -50.83 -30.72 15.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.8 mt -120.2 -34.08 3.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttp85 -66.86 -48.6 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -59.32 -41.67 89.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.28 -45.81 79.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.56 -52.01 59.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.49 -31.41 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -48.59 59.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -78.95 -11.05 59.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.68 -40.97 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.563 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -105.03 -46.67 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.99 -45.7 1.06 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.563 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 31.4 ttm180 -160.23 94.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.493 ' ND2' ' H ' ' A' ' 52' ' ' PHE . 2.5 t30 -157.32 147.5 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -146.73 53.68 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.493 ' H ' ' ND2' ' A' ' 50' ' ' ASN . 62.8 m-85 -151.35 156.45 34.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.628 0.728 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 136.94 34.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -174.87 176.33 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 mp -102.41 117.05 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.3 143.75 27.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.69 103.64 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.02 -91.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -131.43 22.04 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -128.2 146.83 50.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -118.17 118.57 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -69.72 -75.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.51 -47.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.66 132.51 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.6 p -53.21 -42.01 65.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.344 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.09 -25.64 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -41.54 77.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -34.77 73.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -71.84 -53.1 14.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.1 78.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.037 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.8 mt -59.64 -48.9 79.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -56.28 -41.06 75.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -80.87 -15.94 54.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -22.49 31.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.5 -4.87 3.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -80.15 0.89 30.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tp -50.73 -40.9 55.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -54.18 -50.16 67.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -64.88 -48.99 72.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.67 -36.79 64.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -50.67 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -60.49 -25.23 65.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.81 -52.54 6.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.3 m -66.74 -20.41 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.4 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.409 0.449 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 134.4 27.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.302 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -105.01 134.83 12.22 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.3 p -111.13 104.38 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt -140.18 135.3 32.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.41 177.69 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.28 146.42 38.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.61 137.59 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -132.25 150.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.8 115.56 16.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -94.28 107.71 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.31 -179.15 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 11.5 ptm180 -87.68 158.31 51.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.8 -8.27 23.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -103.68 56.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.7 p -114.85 99.54 52.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -7.41 20.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -101.76 -41.6 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -55.64 -22.7 24.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -48.8 -32.48 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -41.52 88.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.16 -54.88 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -32.45 70.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.53 -42.49 67.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -49.36 76.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.77 -56.47 13.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -52.15 -36.93 52.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -77.82 -28.25 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -31.46 67.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.43 1.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 m -132.32 173.61 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 104.24 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -92.14 144.57 25.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -102.47 113.45 26.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -84.49 113.37 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mm -96.22 120.36 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.3 143.58 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.0 -17.62 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.5 m -49.13 110.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.7 p -64.7 -24.43 67.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.7 m -49.19 -31.89 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.39 -35.08 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -36.52 77.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -67.4 -37.51 83.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.44 -36.04 68.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.82 -46.53 30.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.5 p -64.37 -38.72 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -75.35 -35.4 61.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -79.31 -17.33 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.33 -40.79 10.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -97.59 -47.6 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.72 -29.07 2.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.601 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 18.6 tpt180 -177.72 98.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -143.69 149.69 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -141.59 31.93 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -151.05 154.13 33.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 144.64 54.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -174.64 177.26 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.9 mp -102.08 128.68 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.12 145.96 33.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.1 mt -134.13 91.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.92 -98.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -115.54 29.67 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -149.06 119.84 7.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -93.45 119.47 32.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.69 -75.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.77 -58.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -120.43 173.5 15.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.0 m -73.01 -66.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.18 -26.17 26.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.71 -47.26 67.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.86 -37.6 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -51.21 58.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.15 -38.84 80.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.66 -55.83 17.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.13 -27.99 62.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -86.24 -23.39 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.46 -21.64 35.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.09 0.54 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -86.77 9.68 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.79 -42.83 98.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -51.09 -44.87 61.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -71.3 -45.31 63.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.08 -52.71 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mt -65.22 -51.45 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -56.87 -23.92 47.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -88.12 -64.69 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.5 m -51.51 -29.19 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 121.404 0.447 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -174.29 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 155.77 71.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.2 m -170.67 179.99 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtm -130.29 121.77 26.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -137.09 178.22 7.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -137.89 146.99 44.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.09 137.26 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.42 144.17 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.01 118.34 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -100.06 108.18 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.41 -179.8 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -88.27 155.54 51.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.19 14.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.52 16.62 9.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.8 p -80.03 114.12 43.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -14.52 36.23 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -80.12 -36.21 35.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 m -60.74 -24.86 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -40.94 42.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -64.57 -53.23 51.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -54.73 43.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -58.42 -33.93 70.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -64.61 -48.61 74.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -50.01 73.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.25 -57.0 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.72 -30.91 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -75.05 -36.13 61.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -71.57 -31.8 67.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.41 45.09 1.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.85 168.83 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -107.91 108.0 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -96.79 145.39 25.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.3 m -108.01 121.34 44.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -86.87 128.01 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.3 mm -113.77 121.29 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -54.29 142.14 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.13 -18.26 57.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 m -50.81 108.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.7 p -54.28 -25.93 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -50.72 -30.84 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mp -122.81 -29.46 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -71.16 -39.07 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.92 -46.33 75.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -70.11 -31.59 69.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.2 mtt -75.37 -51.48 13.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -62.75 -36.15 74.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -75.63 -36.39 60.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.1 tpt85 -80.84 -13.43 58.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.74 -41.15 8.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.71 -40.07 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.71 -46.41 0.86 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -169.77 101.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -153.83 151.11 29.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -141.26 48.41 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -151.53 151.76 29.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.748 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.8 66.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.75 177.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.77 118.1 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.81 138.83 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 pt -145.7 122.02 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 50.41 44.0 44.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 65.35 28.21 11.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -137.39 109.72 7.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -66.86 142.85 57.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.4 -69.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.04 -82.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.13 171.2 20.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.3 t -72.39 -61.06 1.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -54.36 -25.68 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.09 -47.68 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.74 -38.32 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -53.53 27.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.87 -46.69 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.84 -50.08 74.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -30.86 64.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -85.16 -25.72 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -77.98 -22.04 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.72 -0.8 5.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -85.55 6.86 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -39.37 73.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -53.97 -50.12 67.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -65.44 -50.94 63.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -54.69 -42.09 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.51 -47.18 76.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -67.33 -21.88 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -83.21 -37.42 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.71 -26.99 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.088 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 121.41 0.45 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 107.2 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 177.69 131.29 1.5 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 89.2 p -139.03 168.66 19.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ptp -132.76 132.48 42.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -121.04 178.17 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.72 146.95 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.411 HD13 ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -111.21 137.87 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.0 mt -131.45 126.19 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -106.47 127.62 53.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -104.39 114.76 29.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.12 -178.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -85.87 158.21 56.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.76 -5.3 15.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -121.55 60.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.6 p -119.97 108.39 38.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.642 0.734 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.95 22.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -88.11 -34.76 17.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.0 m -55.34 -24.42 29.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -48.78 -38.33 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -53.83 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.02 -54.16 50.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -59.01 -34.01 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.72 -49.02 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.78 -53.48 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -57.7 9.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.38 -39.49 83.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -55.6 -41.65 73.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -77.2 -31.96 55.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.76 59.51 0.78 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.28 171.45 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -109.17 111.22 22.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -101.15 144.8 29.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.3 m -102.6 116.46 32.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.5 115.38 23.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.3 mm -99.84 120.33 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.38 142.34 13.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.18 -16.89 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -51.4 103.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.0 p -53.16 -28.16 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 t -50.2 -31.28 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 mt -118.66 -37.43 3.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.49 -49.46 75.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -53.2 -39.74 63.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.45 -49.84 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -51.47 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.13 -35.77 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -59.98 -50.27 74.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -13.18 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.6 55.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.59 -38.54 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 140.67 -38.69 1.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -167.58 103.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -163.32 153.34 15.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 t -149.7 55.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -151.44 154.06 33.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 146.01 59.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.65 177.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 mp -102.28 113.92 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.93 137.53 33.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.9 pt -140.87 121.16 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.17 44.25 26.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.18 31.81 6.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -140.45 105.16 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -64.4 142.55 58.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -106.77 -68.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.68 -111.34 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.19 173.73 44.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.5 p -66.12 -38.74 88.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -75.1 -26.29 59.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -55.22 24.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.85 -38.69 70.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -52.81 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.93 -52.85 56.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.88 -47.68 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.43 -35.41 67.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.66 -23.14 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -78.41 -22.3 47.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.58 -2.2 3.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -83.08 3.41 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.74 -43.82 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -44.06 68.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -69.28 -52.83 23.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.32 -52.51 61.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.25 -54.53 45.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -58.75 -22.57 58.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -81.32 -68.6 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.0 m -50.72 -30.58 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 121.437 0.465 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 124.13 10.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.304 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -170.17 130.32 1.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.34 108.86 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mtm -150.61 150.79 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -134.35 177.86 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -134.51 146.78 50.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.45 138.21 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.19 134.45 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp -114.74 120.87 41.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -97.8 107.59 20.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.81 -178.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.443 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 2.9 ptp85 -86.23 158.49 55.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.79 -6.12 17.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -121.02 61.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 p -118.78 109.35 39.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.643 0.735 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.15 20.32 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -94.91 -59.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 p -53.57 -23.33 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -48.33 -32.5 7.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -66.87 -43.17 84.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.16 -54.89 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -32.09 68.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -70.7 -43.83 68.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.28 -49.47 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.77 -56.08 20.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.9 -38.12 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -77.76 -26.2 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -32.44 68.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.82 34.54 3.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 m -120.57 172.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 111.14 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -107.75 115.97 31.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -110.25 142.88 41.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.0 m -101.49 116.0 31.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.42 112.49 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.1 mm -98.14 118.21 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -54.09 143.05 23.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.09 -15.83 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -50.14 103.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -53.8 -25.88 21.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -49.47 -31.68 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -124.6 -35.46 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -60.21 -34.87 74.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.73 -40.16 91.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.21 -37.34 72.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.12 -50.47 22.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.7 p -60.85 -38.4 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -75.36 -33.97 61.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -79.0 -17.02 56.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.47 -41.09 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.96 -45.08 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.07 -6.81 3.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -173.43 155.45 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -63.85 149.94 45.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.78 -178.23 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.401 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 13.8 p90 -59.96 157.47 30.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.0 Cg_endo -69.76 157.69 59.52 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -176.04 -179.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.65 112.82 27.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.25 143.7 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 pp -138.8 119.83 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 51.52 -102.16 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.3 40.76 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -154.22 147.66 25.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -105.64 111.06 23.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.94 -74.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.44 -81.18 0.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -109.11 160.4 13.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.8 p -62.28 -37.1 84.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -74.62 -26.69 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -55.09 -55.55 29.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.76 -37.12 73.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -51.43 65.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.28 88.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.89 -56.32 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.43 -26.65 61.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -86.08 -24.81 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.55 -22.22 41.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.84 -0.64 4.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -85.83 8.86 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.51 -37.89 73.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.63 -44.92 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -72.96 -49.37 29.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.69 -40.6 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.3 -45.23 48.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -61.15 -24.78 66.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.5 -59.69 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.9 m -56.55 -25.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.7 t60 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 121.472 0.484 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 105.1 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 106.39 93.48 2.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 38.2 t -139.69 117.47 11.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.8 mtm -112.9 154.0 27.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 177.88 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -132.64 146.26 51.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.33 137.73 47.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.5 mt -129.59 149.02 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.81 114.42 18.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -96.78 113.34 24.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -176.1 179.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.439 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -87.45 157.12 53.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 110.838 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.75 -16.34 37.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -94.77 36.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -106.87 94.4 10.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.59 26.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -72.93 -9.65 58.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.7 m -75.4 -21.81 57.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -47.24 -38.43 12.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -62.68 -47.5 83.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -57.64 12.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -53.63 -34.79 59.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -67.3 -41.93 84.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.03 -51.39 69.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.67 -55.65 28.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.5 -39.81 70.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -62.36 -40.18 95.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -32.54 69.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.54 50.42 1.84 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.18 176.49 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.934 0.397 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -108.54 117.63 34.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -112.19 148.12 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.9 m -114.34 121.5 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -85.72 130.41 34.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.0 mm -116.08 121.02 66.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -52.06 142.95 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.45 -17.65 55.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -50.5 106.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.1 p -58.92 -25.25 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.4 p -50.13 -31.52 13.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.52 -34.33 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -62.74 -42.8 99.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.31 -42.12 90.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.22 -45.4 76.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -51.28 65.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.59 -30.3 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.28 -46.15 57.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -79.13 -13.58 59.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.7 -40.75 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.6 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -102.97 -48.15 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.96 -40.24 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.6 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 46.5 ttm-85 -165.55 88.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -148.57 145.98 28.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 t -143.37 48.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -151.45 152.72 31.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.666 0.746 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.02 36.97 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.729 2.286 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.21 177.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.72 132.25 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.82 143.07 45.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.07 107.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.66 -91.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -132.99 23.4 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -132.86 138.6 47.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -110.12 117.46 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.92 -75.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.95 -47.29 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.71 159.82 23.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.3 m -70.94 -53.82 13.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -55.68 -25.22 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -46.83 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.73 -36.51 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -70.62 -53.55 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.43 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.6 mt -56.57 -48.27 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -56.26 -40.21 73.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -79.44 -19.5 49.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -81.61 -22.48 37.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.23 -7.46 2.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -73.06 -5.93 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.11 -42.75 29.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.28 -50.49 69.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 t -63.41 -50.8 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.8 -34.29 62.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -53.11 16.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -60.59 -24.99 65.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -81.19 -59.33 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.7 m -62.13 -23.48 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 121.431 0.461 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.73 5.28 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.656 2.238 . . . . 0.0 112.37 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -162.19 177.94 38.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.99 147.27 43.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 ptm -120.5 25.96 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.22 121.6 40.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -142.93 147.35 35.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.417 HD12 ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -107.78 137.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -133.36 144.09 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.67 114.44 22.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -101.82 107.47 18.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.2 -178.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -86.6 156.78 55.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.617 0.723 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.79 19.43 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.709 2.272 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -96.94 48.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 p -117.11 97.61 50.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -7.28 20.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -95.36 -20.89 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.3 m -53.89 -25.86 22.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -50.21 -33.01 17.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -49.54 60.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -54.91 38.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -36.42 75.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.92 -48.93 76.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.92 -53.21 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -57.75 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.89 -37.02 75.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.52 -41.6 85.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -32.25 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.01 53.59 1.17 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -125.57 177.95 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 114.19 27.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -104.58 144.91 31.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -109.45 119.39 39.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -84.95 134.96 34.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.3 mm -124.19 120.79 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -56.6 143.04 37.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.8 -16.1 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.6 t -49.8 106.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -56.22 -24.96 45.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -49.86 -31.51 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -124.43 -34.57 2.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 ttp85 -62.2 -36.23 81.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -66.53 -37.48 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -70.4 -48.7 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -51.48 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 p -62.84 -36.34 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.03 -51.3 69.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -79.0 -13.09 60.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.12 -41.09 43.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.29 -45.96 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.96 -57.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.545 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -152.68 116.36 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -153.46 160.69 42.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 m -154.34 36.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -147.11 144.26 19.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.53 54.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.374 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -176.76 179.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.6 mt -96.29 142.87 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.97 139.7 53.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.5 pt -142.56 122.78 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.0 44.82 19.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 66.56 33.67 6.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -144.12 106.14 4.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -65.61 142.7 57.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.34 -56.78 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.98 -110.57 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.74 -177.55 51.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -61.72 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.26 -26.25 27.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -52.97 -55.25 24.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 pp -56.78 -36.04 69.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -53.01 28.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.77 -52.8 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.14 -47.4 85.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -33.82 66.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -86.53 -20.28 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -80.44 -22.12 41.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.72 -3.14 3.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -80.94 1.97 28.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.09 -44.34 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -52.93 -43.7 66.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.2 t -68.51 -52.23 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.61 -51.45 65.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -41.22 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -67.49 -23.52 65.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -87.71 -44.44 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.0 m -74.47 -23.64 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 121.39 0.439 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -175.95 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.65 2.234 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -127.66 -144.59 5.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.548 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.0 t -151.4 155.93 39.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.833 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtp -133.41 95.38 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -144.48 178.29 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -141.41 147.22 37.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.414 HG21 ' HA ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -119.13 136.78 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.5 mt -134.5 150.98 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.41 114.82 20.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -99.34 109.14 21.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.96 -179.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.202 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -88.86 155.77 49.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.0 22.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.232 . . . . 0.0 112.359 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 63.56 19.33 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.1 p -82.59 120.13 76.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -44.13 2.23 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -52.69 -35.61 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -55.79 -25.2 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -49.48 -41.67 41.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.81 -53.93 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -57.53 12.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -52.92 -35.47 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -70.03 -37.62 75.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.43 -53.93 44.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -45.53 85.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.68 -32.24 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -76.24 -36.47 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -71.49 -32.44 68.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.4 49.1 2.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.98 175.33 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.08 108.76 19.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.414 ' HA ' HG21 ' A' ' 4' ' ' ILE . 32.6 p90 -101.67 145.71 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 66.6 m -105.26 128.37 53.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.4 138.1 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 mm -125.48 122.4 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -59.31 142.79 51.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.53 -16.94 58.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m -50.13 105.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -52.44 -27.46 16.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m -49.7 -31.68 11.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.2 mt -121.89 -33.7 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -63.84 -45.75 88.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -58.29 -40.69 82.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.84 -47.6 68.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -61.75 -52.28 64.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.96 -33.92 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.38 -51.51 62.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -78.69 -10.65 59.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.44 -41.89 21.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.456 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 1.9 p-10 -130.58 -38.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.44 -47.26 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.456 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 11.8 ptm180 -170.76 161.4 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -176.21 156.9 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 p -139.23 17.4 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -151.41 152.85 31.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.679 0.752 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.55 67.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.302 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -174.65 178.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 mp -101.64 134.41 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.68 137.59 47.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 pp -149.12 129.26 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.16 56.6 6.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 49.28 34.11 5.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -140.85 112.73 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -73.55 123.1 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.7 t -86.9 -75.1 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.23 -105.07 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.3 163.1 37.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.81 -55.18 32.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.338 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.12 -26.25 37.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -52.61 -55.45 22.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pp -56.2 -36.06 67.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -52.97 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.42 -51.75 61.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.51 -48.84 80.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -56.74 -32.68 65.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -85.85 -21.89 27.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -22.0 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.92 -1.95 4.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.438 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.66 6.99 25.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.45 -43.03 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -53.46 -49.87 66.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.2 t -62.75 -50.97 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.14 -47.88 74.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -38.76 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.07 -23.98 60.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.89 -30.98 25.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.1 m -88.54 -25.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 121.394 0.441 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 176.62 6.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -157.98 160.98 31.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.6 t -136.19 112.11 9.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ptp -171.8 152.16 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -93.94 178.16 5.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.37 146.76 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.52 137.24 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.5 mt -131.43 123.62 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -103.5 122.78 45.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.56 114.92 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.48 -178.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.501 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -86.49 161.71 47.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.858 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -7.11 20.21 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.703 2.269 . . . . 0.0 112.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -98.88 47.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -107.66 90.53 6.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.37 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -63.71 -27.01 68.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -53.63 -22.67 9.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -46.99 -33.88 5.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.16 -48.55 81.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -54.16 35.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -59.12 -31.21 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.82 -48.32 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.33 -45.38 91.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -58.14 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -56.75 -38.6 72.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -66.31 -35.94 81.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -71.38 -31.84 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.61 44.85 1.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.84 168.96 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.98 104.57 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -95.63 142.26 28.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -107.02 124.47 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -91.29 112.12 23.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.0 mm -95.04 117.57 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.01 143.68 54.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.23 -24.2 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -48.26 116.38 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.5 p -62.71 -23.29 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 p -51.02 -31.87 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -123.98 -26.1 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -74.6 -43.02 57.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.45 -47.48 83.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -48.16 70.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.4 tpp -61.35 -50.15 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 t -57.36 -49.68 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -53.99 -46.94 71.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -78.79 -10.41 59.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.92 -41.96 22.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -118.14 -43.57 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.37 -16.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -159.24 161.13 35.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -78.44 157.26 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 t -175.79 -171.48 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.405 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 11.3 p90 -59.94 157.67 29.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.1 Cg_endo -69.7 154.2 68.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -175.76 -178.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.54 112.76 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.16 141.25 28.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.49 115.19 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.15 -98.04 0.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -128.95 29.95 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.833 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -142.69 147.22 35.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -107.34 106.11 16.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.7 t -53.79 -74.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.4 -55.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.06 148.98 16.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -67.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -54.34 -26.35 29.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -52.61 -41.97 64.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.55 -36.78 84.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -52.9 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.12 -52.37 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.7 mt -59.46 -46.57 88.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.65 -42.67 75.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -80.82 -16.66 53.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.15 -22.33 36.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.26 -5.72 3.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.46 3.33 28.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.11 -43.13 61.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -45.15 69.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.8 t -68.52 -50.62 50.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.71 -52.32 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -49.46 77.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -61.1 -24.31 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.41 -63.46 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.4 m -52.84 -32.66 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 121.452 0.473 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 165.92 29.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.228 . . . . 0.0 112.414 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -109.18 17.02 32.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 7.6 t -98.66 100.16 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.826 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.2 mtp -126.81 60.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -64.72 172.68 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.0 146.24 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.5 138.19 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 mt -132.95 151.92 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.41 114.21 15.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -93.89 116.81 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.91 178.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -88.33 155.67 51.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.86 26.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.27 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 63.78 18.76 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.6 119.36 76.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -44.87 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.27 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -52.32 -34.89 49.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.6 m -54.78 -25.7 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -50.04 -36.89 30.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -66.09 -53.24 40.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.92 -57.28 11.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -35.49 42.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.62 -40.03 73.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.38 -54.01 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.09 -44.98 87.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.41 -28.7 69.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -77.54 -40.19 43.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -31.9 68.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.61 54.99 1.03 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -133.18 172.7 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.388 . . . . 0.0 111.121 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -110.97 97.49 6.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -88.28 139.71 30.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.3 m -98.53 124.6 43.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.0 125.71 39.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.1 mm -107.4 120.93 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -61.36 143.03 56.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -19.81 36.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 m -48.92 118.41 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.8 p -63.79 -24.08 67.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m -49.7 -31.6 11.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.7 mt -124.22 -35.44 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -61.65 -39.99 93.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -61.51 -40.59 95.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.26 -49.69 63.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -63.02 -52.09 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.14 -31.71 48.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.26 -50.38 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -77.68 -9.75 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.91 -41.17 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.63 -39.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.33 25.91 62.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -118.99 -14.43 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 51.18 89.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 -170.25 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.09 159.97 18.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.685 0.755 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.38 63.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.344 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.08 -179.24 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -94.3 120.63 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.96 152.34 18.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pt -149.0 104.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.36 -87.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -138.0 20.29 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -131.69 149.12 52.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -110.85 115.35 29.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.0 t -54.98 -73.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.13 -33.62 2.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.12 170.08 33.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.529 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 t -68.23 -66.75 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.734 0.302 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -55.07 -26.28 36.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -52.92 -55.17 25.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pp -53.81 -36.39 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -52.78 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.67 -51.27 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.89 -46.77 88.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -55.78 -39.79 71.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -81.7 -20.59 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -78.62 -22.44 46.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.97 -2.21 4.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -81.85 1.69 33.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.44 -39.43 57.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.24 -49.39 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.2 t -68.28 -49.01 63.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.42 -42.53 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mp -72.28 -41.64 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.42 -26.63 68.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.958 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -83.87 -53.81 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.52 -32.2 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 121.434 0.464 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 88.61 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.286 . . . . 0.0 112.371 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -148.58 -112.39 0.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 39.8 m -161.87 120.34 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.384 . . . . 0.0 110.811 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mtp -119.87 133.1 55.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -145.03 177.94 8.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -128.26 147.54 50.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -105.46 138.09 32.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 mt -133.25 122.03 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.67 128.25 52.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -106.97 107.69 18.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.65 -178.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 156.48 54.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 169.31 19.2 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 66.88 11.23 8.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 p -61.49 111.34 4.18 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.616 0.722 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -41.76 4.04 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.759 2.306 . . . . 0.0 112.318 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -69.54 -43.14 73.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -22.88 51.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -48.73 -32.78 9.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -65.51 -51.25 61.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.22 -54.03 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.17 -34.85 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.95 -48.94 76.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.81 -45.82 92.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -58.23 9.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -59.7 -32.03 70.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -67.81 -36.75 80.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -76.12 -32.32 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.02 57.64 0.72 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -135.8 170.42 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -109.22 106.36 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -96.77 145.88 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.0 m -105.1 119.59 39.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.0 111.29 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mm -95.92 121.47 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -55.94 142.41 35.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.91 -18.21 55.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.3 t -50.97 107.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.1 p -54.3 -25.74 25.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -51.06 -31.4 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mp -121.39 -30.4 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -70.0 -45.73 66.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -58.98 -45.9 89.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -68.32 -41.1 81.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -51.9 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.77 -35.3 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -62.03 -50.85 70.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -78.88 -14.3 59.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.84 -41.57 52.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.22 -47.18 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.5 -54.99 0.53 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -142.1 107.07 4.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -173.82 149.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 t -153.49 55.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -151.32 155.33 34.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.749 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 145.02 56.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.722 2.282 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.5 177.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 mp -99.7 110.67 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.4 137.82 33.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -146.44 118.25 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.53 44.48 22.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.449 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 t70 71.9 30.12 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 57' ' ' ILE . 85.0 t80 -133.44 111.0 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -85.24 130.58 34.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.47 -73.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.3 -84.04 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.45 153.33 26.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.0 p -70.53 -35.1 72.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -73.35 -26.29 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -52.84 -54.02 40.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pp -52.9 -38.15 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.98 -52.64 26.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.43 71.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.44 -48.41 81.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.12 -35.71 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -85.07 -19.5 31.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -22.12 38.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.62 -2.4 4.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.426 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -89.64 13.01 15.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -41.0 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -53.47 -47.16 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.8 t -67.64 -50.21 59.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.51 -52.42 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -44.63 96.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.16 -31.49 69.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -76.27 -60.32 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.8 m -53.46 -34.08 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 121.475 0.486 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -177.37 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.242 . . . . 0.0 112.356 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 153.15 137.45 2.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 58.7 m -62.09 166.56 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm -96.42 -74.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -104.26 177.7 4.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -130.08 147.66 51.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.65 137.65 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.2 mt -134.16 129.11 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -105.88 121.71 44.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -105.3 112.23 25.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.05 179.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -87.82 158.3 50.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.889 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.81 -7.9 22.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -97.72 32.6 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.4 t -107.84 91.68 7.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.09 24.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.8 -14.95 63.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.91 -21.26 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -47.38 -33.77 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -62.28 -54.48 40.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -56.91 15.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -53.11 -32.25 46.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.23 -40.23 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -45.03 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mt -68.9 -50.68 47.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.33 -26.96 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -77.28 -40.54 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -71.18 -31.96 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.61 54.88 1.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.96 175.8 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.54 106.62 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -100.11 144.32 29.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.3 m -103.19 123.51 46.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -87.23 126.67 34.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.9 mm -116.91 120.17 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.18 143.33 55.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.82 -18.35 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -49.11 112.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.8 p -60.85 -24.59 66.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 p -49.37 -31.54 9.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -124.22 -36.14 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -61.61 -42.4 98.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.1 -38.0 75.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -70.75 -51.54 26.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -59.03 -51.46 69.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.4 -35.56 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.19 -50.61 72.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -10.83 59.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.71 -42.53 28.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -114.02 -38.54 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 147.04 -40.98 0.98 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -142.6 147.52 35.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -51.41 157.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.55 -178.6 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 10.1 p90 -60.14 155.36 45.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.4 Cg_endo -69.69 154.63 67.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 0.0 112.371 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -174.42 -178.11 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.6 mt -94.79 115.34 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.36 139.44 31.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.8 pt -141.51 121.47 11.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.34 44.72 28.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 66.77 31.51 7.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -141.44 104.9 4.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -63.59 142.96 58.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.9 t -107.04 -66.91 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.01 -82.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.33 -176.18 18.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.1 m -74.96 -56.36 4.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -54.32 -26.53 30.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.18 -54.6 33.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pp -57.82 -35.37 70.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -53.19 26.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -48.07 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.97 -45.54 88.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -56.61 -36.11 69.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -86.36 -22.26 26.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.45 -22.74 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.27 -2.73 6.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.61 7.0 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -40.01 67.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.43 -49.89 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.9 t -64.92 -49.44 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.79 -50.22 69.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -35.8 82.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.09 -27.47 65.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -81.0 -44.84 17.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -73.22 -28.27 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 121.458 0.477 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 88.03 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 156.11 147.67 4.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.46 167.73 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm -68.38 89.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.68 149.02 29.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -142.16 146.31 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.42 137.37 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.2 118.65 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pp -99.4 124.17 44.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -99.57 106.23 18.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.35 -179.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.161 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -113.66 158.16 39.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.913 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.74 -2.58 10.4 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.62 2.213 . . . . 0.0 112.377 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -71.92 -54.48 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 p -58.89 120.42 46.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.615 0.721 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -38.81 7.22 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -38.06 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.9 m -53.73 -26.09 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . 18.7 mttm -52.22 -32.75 38.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -63.68 -52.44 60.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 -57.72 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 14.4 ptp180 -54.34 -36.08 63.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.49 -37.2 79.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.59 -54.42 43.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.43 -48.14 82.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.11 -27.02 69.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -41.58 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -71.04 -32.01 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.34 54.79 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.48 170.92 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 92.69 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -85.22 143.85 28.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.9 m -98.3 111.12 23.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.48 112.0 19.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mm -94.85 123.39 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.88 143.54 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.98 -23.11 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 m -48.82 104.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.6 p -57.56 -23.58 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.5 p -49.93 -31.63 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -123.32 -33.57 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -42.62 91.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -63.6 -43.3 97.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.42 -42.09 88.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.2 tpp -68.43 -51.57 42.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.77 -30.42 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -74.31 -45.97 44.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -78.5 -10.9 59.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.26 -40.82 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.606 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -105.35 -46.95 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.54 -35.64 2.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.606 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 35.6 ttm180 -177.13 89.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -120.0 157.35 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.0 t -147.59 27.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -151.74 147.4 20.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.03 55.76 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.68 177.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mp -97.42 116.8 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.12 144.1 26.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.68 110.75 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.6 -92.4 0.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -134.25 24.06 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.333 . . . . 0.0 110.836 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -136.33 147.27 47.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -108.94 110.68 22.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.2 t -51.34 -74.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.93 -49.67 0.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -149.22 167.74 29.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.7 p -63.78 -38.88 92.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.74 -26.38 57.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -59.85 -55.56 32.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pp -54.67 -38.33 66.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -53.41 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.67 -48.33 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.6 mt -59.36 -49.37 78.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -32.01 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -83.82 -25.0 30.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -78.72 -22.28 46.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.22 -0.43 4.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -85.26 6.25 26.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.04 -46.77 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -50.58 -41.77 54.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -70.61 -47.91 57.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.02 -52.55 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.28 -43.3 98.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -58.5 -34.23 70.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -75.93 -62.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -53.15 -32.51 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 121.496 0.498 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -172.58 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.362 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -146.57 -135.18 2.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 9.5 m -109.49 80.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtm -142.11 132.02 24.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -67.91 178.0 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -131.41 145.87 52.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.3 137.27 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mt -132.31 123.88 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.93 127.36 47.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -107.05 112.52 25.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.45 -179.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 4.9 ptp180 -90.63 158.23 43.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.638 0.732 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -101.66 33.68 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.7 t -106.96 94.13 10.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.633 0.73 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.34 23.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.389 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -13.09 61.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.1 m -74.06 -22.56 59.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -47.96 -33.64 8.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -64.28 -54.82 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 -57.5 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -53.76 -36.06 61.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -64.5 -40.34 95.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -49.37 72.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.5 -56.29 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -59.47 -31.77 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -66.02 -41.79 90.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -72.02 -32.38 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.41 52.06 1.09 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -128.23 172.82 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.964 0.411 . . . . 0.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 113.52 27.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -105.01 143.81 32.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.8 m -104.72 117.33 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.141 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -84.23 119.28 24.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.4 mm -107.53 119.26 56.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -66.75 143.8 56.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.7 -19.42 26.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -47.25 105.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -53.66 -25.52 18.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.7 m -49.56 -31.69 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.1 mt -123.47 -35.17 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -37.52 79.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.87 -41.71 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -66.83 -45.6 77.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.3 mmt -66.58 -52.24 47.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.32 -32.05 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -70.63 -50.59 35.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -74.16 -10.42 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.35 -40.76 11.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -136.43 -34.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.21 49.85 2.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -175.58 138.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -93.31 134.35 35.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.04 -170.24 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -60.19 160.63 16.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 142.96 49.09 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.638 2.226 . . . . 0.0 112.363 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -153.78 179.62 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.86 116.37 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.35 132.65 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.7 pt -138.06 130.21 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.81 51.36 10.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 55.55 34.09 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -142.73 108.65 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -63.62 138.02 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.8 t -105.77 -69.75 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.9 -123.89 1.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.63 173.2 52.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.1 m -58.95 -61.79 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.36 -26.41 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -52.79 -55.31 23.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 pp -56.33 -36.49 68.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -53.2 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.87 59.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.88 -48.06 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.78 -34.14 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -83.27 -22.68 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -79.74 -22.24 43.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.56 -1.06 4.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -85.02 5.12 30.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 tt -51.87 -48.58 63.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.78 -41.82 57.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.8 t -68.43 -48.51 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.9 -52.87 63.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.08 -39.42 89.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -71.84 -22.67 61.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -86.52 -33.41 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.4 m -87.44 -24.77 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 121.486 0.492 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -178.78 2.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.65 2.234 . . . . 0.0 112.34 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -136.32 -142.98 4.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.9 m -130.24 131.7 45.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.847 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.55 148.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -78.19 178.13 7.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.99 147.01 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.54 137.63 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.5 mt -134.34 150.64 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.99 114.03 18.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -95.66 107.38 19.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.73 -178.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.1 155.93 54.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.72 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -93.77 52.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 p -123.97 98.47 39.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.663 0.744 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -7.32 20.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.5 -20.49 18.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 m -54.76 -25.77 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -50.13 -36.79 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -64.13 -50.58 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.4 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -31.08 70.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.57 -49.11 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.29 -52.41 64.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.21 -56.42 22.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.03 -29.71 60.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -40.63 75.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -70.91 -31.88 68.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.17 54.09 0.86 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.444 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 m -131.54 166.06 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -105.6 107.58 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -94.96 145.67 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.6 m -110.44 120.37 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.86 126.0 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.5 mm -111.53 117.74 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -53.09 143.54 17.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.56 -17.86 48.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 m -48.74 110.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -63.43 -24.27 67.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.6 p -49.62 -31.48 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 mt -125.32 -35.13 2.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 tmm_? -61.55 -35.74 78.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.55 -41.22 93.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.06 -35.63 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.9 tpp -73.92 -50.78 18.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.7 p -61.43 -37.35 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -75.86 -35.02 60.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -79.62 -15.63 57.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -40.89 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -39.48 9.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.87 -74.76 0.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -106.65 127.91 53.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -49.93 139.73 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.8 -169.87 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -60.18 161.03 14.15 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.54 179.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.42 116.85 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.93 136.79 34.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.9 pt -140.72 122.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.34 43.61 26.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 66.55 31.85 7.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -140.16 108.38 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -63.83 142.51 58.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.89 -31.58 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.24 -73.74 0.38 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.14 150.77 17.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -35.46 76.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.29 -26.36 65.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -36.93 77.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -68.53 -34.96 76.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 12.8 m-85 -72.75 -53.18 12.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.0 86.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.061 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.84 -53.08 44.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -55.49 -37.81 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -82.21 -21.24 36.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -22.74 42.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.72 -3.25 4.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -80.85 2.31 26.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.18 -43.99 52.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.86 -49.98 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.5 t -65.83 -40.83 92.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.07 -44.79 96.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.92 -43.02 89.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -71.68 -20.93 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.23 -34.32 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.4 m -85.97 -20.69 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 121.425 0.458 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.71 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 151.36 121.97 1.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 18.3 p -129.99 91.33 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtt -144.71 169.07 18.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 173.27 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.0 146.68 34.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.93 137.06 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 mt -129.74 148.41 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mt -115.54 139.27 50.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -123.2 106.52 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.46 -178.25 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -86.49 156.82 56.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.882 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.73 -7.63 21.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -96.17 48.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 p -114.19 94.98 37.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.63 21.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.18 -11.53 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.76 -25.9 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -50.15 -35.6 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.1 mmt-85 -64.05 -50.04 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.51 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -61.55 -30.86 70.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.07 -49.74 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -53.21 59.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -56.99 14.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.22 -44.5 79.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -55.49 -41.04 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -71.36 -33.0 69.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.8 52.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.5 m -129.24 -176.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -122.35 109.96 15.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -100.43 141.57 33.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.1 m -110.39 110.75 21.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -78.07 136.93 37.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mm -121.16 120.99 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.89 144.46 38.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.41 59.43 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -127.16 105.52 8.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 p -47.21 -29.03 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.69 -31.53 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.91 -38.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -57.97 -33.14 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -62.36 -44.06 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -69.75 -44.9 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -52.58 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 p -62.44 -32.75 56.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -65.71 -51.18 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -78.74 -10.59 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.87 -41.75 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.41 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 2.1 p-10 -132.21 -36.72 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.5 -55.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.41 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 31.6 ttm180 -173.34 124.41 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -139.78 172.9 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.8 m -158.29 30.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -151.61 151.45 28.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.78 52.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.748 2.298 . . . . 0.0 112.366 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -178.21 178.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.53 131.84 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -102.92 135.74 44.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 mm -123.49 101.64 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 52.45 -101.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -114.71 37.09 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -149.01 147.44 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -109.96 118.93 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.48 -74.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.6 -47.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.3 144.69 16.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.2 p -64.94 -36.8 85.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -68.0 -26.15 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -36.54 76.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -70.05 -35.75 74.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.407 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 12.5 m-85 -71.41 -53.39 14.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.07 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.95 -49.15 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.12 -42.07 76.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.7 -20.68 53.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -23.0 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.13 -7.34 3.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -77.89 -1.53 32.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.71 -40.61 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -55.11 -50.0 70.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.9 t -68.32 -47.02 68.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.64 -51.79 64.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.89 -46.64 83.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -61.2 -24.92 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -87.0 -62.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.9 m -52.04 -31.58 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.1 m170 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 121.407 0.448 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -172.89 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -77.66 150.98 37.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.3 p -179.29 153.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtm -149.58 116.8 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -131.33 178.34 6.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.06 147.06 44.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.33 138.01 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -132.78 151.15 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.34 114.0 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -96.21 107.48 19.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.41 -178.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -86.87 156.88 55.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -6.89 19.65 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -100.25 53.54 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 p -120.76 101.49 45.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -7.84 22.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -92.19 -25.79 18.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.7 m -55.84 -25.35 41.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -49.67 -39.72 37.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -64.46 -53.74 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.26 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -57.25 -33.9 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -69.11 -39.9 78.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 tp -65.07 -46.5 80.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mt -68.06 -47.85 67.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -63.07 -29.38 70.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -76.31 -39.0 55.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -71.54 -32.0 67.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.15 49.84 1.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.16 172.65 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 111.109 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.12 105.73 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -97.47 144.63 27.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.2 m -107.88 117.73 34.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.44 121.43 27.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mm -106.92 118.96 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.35 143.18 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -17.54 51.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 t -49.6 104.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.0 p -54.45 -26.23 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.5 m -49.73 -31.4 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tp -121.9 -35.05 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -46.8 81.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -41.1 71.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -68.24 -49.47 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.3 -51.81 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.11 -33.73 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -61.94 -51.44 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.03 -12.7 59.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.15 -41.6 41.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.46 -43.96 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.13 27.92 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -176.24 173.21 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.81 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -145.3 143.21 30.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.75 -70.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -130.2 153.48 81.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.02 28.96 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.728 2.286 . . . . 0.0 112.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.73 178.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.6 mp -97.35 118.73 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.97 139.97 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.5 pt -141.92 120.93 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.68 43.24 29.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 67.73 31.43 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -140.7 108.04 5.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -63.03 142.91 58.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.3 t -101.73 -69.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.6 -68.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.25 -174.84 13.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.434 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.28 -64.41 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -55.25 -25.72 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.53 -55.28 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pp -52.08 -37.96 55.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.55 -51.04 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.01 82.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.82 -56.18 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -57.34 -27.8 62.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -86.43 -23.82 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -22.43 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.76 -1.2 4.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.91 11.33 16.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -39.69 72.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.72 -49.88 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.9 t -65.04 -49.21 71.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -54.9 -51.86 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.32 -39.74 91.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -70.22 -23.43 62.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -85.3 -40.54 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.96 -33.4 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 m170 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 121.461 0.478 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -171.51 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -63.65 98.9 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 77.9 p -148.23 119.91 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.356 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mtp -116.06 -25.27 7.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -144.83 178.28 8.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.6 148.17 37.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.428 HD12 ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -106.4 137.71 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.4 mt -138.94 114.5 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.03 130.56 35.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -107.15 107.43 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.91 173.89 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -87.57 156.61 53.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.09 7.25 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 65.72 13.56 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.3 p -84.96 114.56 56.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -16.17 37.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -78.13 -35.4 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.3 m -62.55 -24.73 67.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -49.35 -40.17 34.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -65.09 -53.3 47.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.29 -54.25 49.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -58.98 -33.98 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.29 -49.09 73.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.37 -47.58 85.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -58.25 9.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.11 -37.33 69.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -65.17 -37.63 87.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.26 -32.41 66.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.52 46.5 1.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -126.69 171.8 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 111.104 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.57 106.56 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -92.73 145.93 24.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.1 m -105.34 124.67 49.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.26 122.87 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.8 mm -109.18 116.67 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -63.38 143.72 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.65 -23.13 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.6 m -47.7 109.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -53.27 -25.72 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 t -49.24 -32.09 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 tp -125.59 -33.16 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.541 HH22 ' N ' ' A' ' 52' ' ' PHE . 1.4 tpt180 -65.56 -40.97 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -72.74 -44.28 61.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -66.72 -42.04 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.3 tpp -67.74 -52.31 38.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 p -61.51 -30.11 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.39 -48.31 42.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -78.33 -9.93 59.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 -40.73 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.607 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -111.03 -45.0 3.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.26 -38.52 1.85 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.607 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -175.49 105.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.851 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -152.85 154.78 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 t -146.79 17.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.541 ' N ' HH22 ' A' ' 39' ' ' ARG . 25.0 m-85 -117.23 148.27 42.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.86 46.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.74 178.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.4 mt -108.97 125.23 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.56 135.86 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.0 pt -144.52 122.93 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.42 42.89 19.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 66.72 34.26 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -142.77 112.83 7.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -68.94 142.63 54.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.5 t -109.63 -70.5 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.1 -134.14 5.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.01 -179.25 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.518 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.34 -56.54 4.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -54.99 -25.82 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.58 -55.14 24.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -53.93 -37.6 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -52.88 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.05 -52.53 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.43 -46.68 86.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -56.12 -39.6 72.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -80.94 -20.35 42.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -22.46 42.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.08 -4.48 3.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -79.15 -0.35 31.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tp -49.32 -46.94 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -53.08 -43.8 67.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 t -72.58 -52.86 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -53.37 -52.99 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.9 mt -61.11 -51.64 68.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -59.23 -22.34 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -82.3 -52.46 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 m -65.52 -22.78 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 121.427 0.46 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 144.98 55.39 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -146.26 -172.81 16.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 27.0 m -116.22 126.01 53.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ttt -100.5 130.72 46.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -65.69 114.21 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.15 144.56 47.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.66 138.36 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.0 mt -133.6 150.95 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.71 114.62 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -94.8 110.68 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.63 -178.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 11.2 ptm180 -87.15 158.92 52.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.81 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -106.19 55.89 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 5.3 p -113.72 98.53 47.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.74 -6.92 19.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -102.62 -41.47 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -54.58 -23.25 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -48.61 -39.15 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -62.36 -40.15 95.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.6 29.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.18 -32.09 69.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -71.43 -43.24 67.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -48.77 79.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.0 -57.23 9.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -52.51 -35.51 53.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -77.81 -28.41 50.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -31.89 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.69 54.24 0.65 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m -146.46 177.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.353 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -118.6 106.21 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -92.34 145.37 24.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.7 m -104.97 115.76 30.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -84.83 125.56 32.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mm -109.36 117.35 54.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.6 142.81 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.48 -18.54 52.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -50.91 114.74 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.5 p -66.48 -24.74 66.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 p -49.9 -31.45 12.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -123.18 -35.21 3.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -61.41 -39.95 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -58.78 -40.04 82.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -70.75 -49.62 44.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.8 tpp -59.73 -51.46 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.21 -35.04 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -61.48 -50.19 73.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -81.33 -11.35 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.4 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -113.53 -38.62 4.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.23 23.71 3.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -174.97 165.76 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.67 132.73 50.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.64 -170.61 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 10.6 p90 -59.63 157.8 25.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 53.3 Cg_endo -69.77 159.05 54.84 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.249 . . . . 0.0 112.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -175.02 -178.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.4 mp -94.17 119.15 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.29 148.9 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.8 mt -137.28 91.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.78 -86.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -130.44 15.39 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -128.97 129.92 46.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -99.49 116.73 32.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.72 -74.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.95 -8.65 7.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.9 169.03 41.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.8 m -82.35 -51.7 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.36 -25.37 23.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.5 -40.67 66.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -69.61 -37.37 76.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.412 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 16.7 m-85 -71.77 -52.9 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.12 -52.27 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.7 mt -57.86 -47.44 82.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -56.41 -39.32 72.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -85.3 -12.32 52.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -22.87 26.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.33 -6.73 3.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -77.09 -2.16 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.48 -43.53 65.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -51.75 -44.7 63.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -68.76 -50.06 53.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.73 -47.55 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.12 -47.39 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -61.64 -24.96 67.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -86.36 -62.21 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.7 m -52.01 -30.7 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.0 m170 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.94 146.7 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.628 HG12 HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -104.04 137.68 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.1 mt -131.46 126.31 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.62 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -106.81 126.34 52.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 8' ' ' THR . 97.1 m-85 -105.34 107.58 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 179.98 -179.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.095 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 20.8 ptt180 -87.61 158.69 50.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.79 -8.19 22.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.336 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -100.75 54.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 4.9 p -114.84 98.25 49.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.83 -6.35 18.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -103.59 -40.96 6.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.4 p -55.0 -23.48 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -48.68 -32.75 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -66.12 -47.05 75.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -61.82 -54.07 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.04 -36.23 76.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.1 -48.55 78.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.43 HD12 ' CE1' ' A' ' 69' ' ' TYR . 7.0 tt -60.55 -46.62 89.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -56.59 -58.05 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -58.86 -31.61 68.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -67.4 -40.16 85.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.807 ' HE3' HD11 ' A' ' 81' ' ' LEU . 19.0 mmtt -72.0 -32.09 66.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.95 47.08 1.29 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG11 HG23 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -123.15 174.24 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 111.12 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.45 111.04 22.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.62 ' CD1' HD21 ' A' ' 6' ' ' LEU . 35.6 p90 -103.59 138.33 40.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.443 ' HB ' HG23 ' A' ' 5' ' ' ILE . 89.7 m -100.81 118.16 36.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -87.1 111.51 20.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG21 ' CD1' ' A' ' 7' ' ' TYR . 31.4 mm -97.61 121.83 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -58.32 143.2 45.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.14 -20.65 27.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 p -49.58 106.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.52 HG22 ' HE ' ' A' ' 39' ' ' ARG . 63.6 p -56.01 -24.65 40.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -50.91 -31.41 17.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.06 -29.97 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.52 ' HE ' HG22 ' A' ' 36' ' ' THR . 5.0 tmm_? -70.07 -44.3 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -59.95 -45.99 90.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.05 -41.99 81.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -52.65 60.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.01 -34.47 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.75 -49.87 73.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.43 -11.07 59.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.32 -42.68 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -113.32 -38.24 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.99 -35.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -170.04 113.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -174.49 153.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 t -153.07 53.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -150.18 157.94 36.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.9 41.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' NE2' ' HB2' ' A' ' 7' ' ' TYR . 1.2 pp0? -178.27 175.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.519 HD13 ' C ' ' A' ' 64' ' ' GLY . 5.0 mp -102.89 113.09 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.3 140.82 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.628 HG22 HG12 ' A' ' 4' ' ' ILE . 1.1 pp -140.81 113.44 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.04 -96.98 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.525 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -129.26 30.99 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.4 ' HD2' HD11 ' A' ' 57' ' ' ILE . 59.1 t80 -142.95 147.14 34.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -111.2 105.05 13.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.33 -73.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.34 -75.26 0.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.519 ' C ' HD13 ' A' ' 55' ' ' ILE . . . -95.27 160.74 23.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 43.3 t -70.87 -60.31 2.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.02 -26.05 34.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.47 -51.34 59.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 18' ' ' ALA . 1.9 pp -57.71 -36.55 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE1' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.33 -52.97 27.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.16 -52.54 62.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.92 -48.32 81.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -56.57 -34.62 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -84.07 -21.45 31.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 -22.01 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.44 -2.84 3.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -84.17 4.56 29.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.68 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -51.85 -41.65 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -53.52 -47.33 70.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 t -66.76 -50.32 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.72 -52.32 62.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.807 HD11 ' HE3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -62.42 -39.54 93.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.9 -25.33 65.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -85.09 -49.18 8.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.506 HG23 HG11 ' A' ' 27' ' ' VAL . 27.6 m -68.58 -26.58 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.43 146.24 41.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.569 HG13 HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -111.21 137.82 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.1 mt -130.68 145.11 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -120.41 114.29 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' HG23 ' A' ' 8' ' ' THR . 93.7 m-85 -94.61 113.56 25.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.49 179.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.91 156.5 52.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.76 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -98.07 52.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 p -116.27 96.05 46.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -8.01 22.49 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.18 -12.18 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 m -54.28 -24.26 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -48.84 -39.58 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.2 mtt-85 -61.88 -54.56 40.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -58.17 9.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -54.43 -31.53 55.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.54 -43.94 75.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.754 HD11 ' HG3' ' A' ' 72' ' ' GLU . 7.6 tt -61.4 -53.27 58.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 29' ' ' TYR . 9.7 mt -62.01 -51.48 67.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.93 -38.65 76.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -64.55 -39.13 93.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -32.58 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.42 45.65 3.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.2 176.17 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.945 0.402 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -106.67 114.41 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.603 ' HB2' HD21 ' A' ' 6' ' ' LEU . 40.0 p90 -106.94 146.97 30.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.012 0.434 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.7 m -115.99 117.24 29.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -82.63 133.62 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -119.34 120.46 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -53.56 143.51 19.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.431 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -59.16 -18.95 40.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -50.24 104.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.403 HG22 ' NH2' ' A' ' 39' ' ' ARG . 73.2 p -52.55 -27.44 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t -50.83 -30.72 15.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.8 mt -120.2 -34.08 3.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' NH2' HG22 ' A' ' 36' ' ' THR . 39.1 ttp85 -66.86 -48.6 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -59.32 -41.67 89.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.28 -45.81 79.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.56 -52.01 59.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 50' ' ' ASN . 10.0 p -61.49 -31.41 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -48.59 59.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -78.95 -11.05 59.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.68 -40.97 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.03 -46.67 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.99 -45.7 1.06 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -160.23 94.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.413 ' HB3' HG22 ' A' ' 43' ' ' VAL . 20.5 t-20 -157.32 147.5 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -146.73 53.68 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -151.35 156.45 34.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.628 0.728 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 136.94 34.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -174.87 176.33 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 55' ' ' ILE . 5.1 mp -102.41 117.05 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.3 143.75 27.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.652 ' CD1' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -140.69 103.64 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.02 -91.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -131.43 22.04 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -128.2 146.83 50.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -118.17 118.57 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.652 HG23 ' CD1' ' A' ' 57' ' ' ILE . 69.0 t -69.72 -75.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.51 -47.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.466 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -131.66 132.51 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.6 p -53.21 -42.01 65.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.344 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.09 -25.64 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -41.54 77.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -70.2 -34.77 73.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -71.84 -53.1 14.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.1 78.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.037 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' A' ' 76' ' ' LYS . 64.8 mt -59.64 -48.9 79.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.754 ' HG3' HD11 ' A' ' 21' ' ' LEU . 4.4 tm-20 -56.28 -41.06 75.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -80.87 -15.94 54.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -22.49 31.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.5 -4.87 3.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG3' HD22 ' A' ' 71' ' ' LEU . 39.5 mmtm -80.15 0.89 30.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HG ' HD13 ' A' ' 81' ' ' LEU . 1.4 tp -50.73 -40.9 55.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -54.18 -50.16 67.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -64.88 -48.99 72.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 84' ' ' VAL . 2.3 mm? -54.67 -36.79 64.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.507 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -71.62 -50.67 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -60.49 -25.23 65.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.81 -52.54 6.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 80' ' ' LEU . 20.3 m -66.74 -20.41 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.4 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.746 0.308 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.28 146.42 38.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.693 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -104.61 137.59 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -132.25 150.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.703 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -130.8 115.56 16.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 8' ' ' THR . 97.7 m-85 -94.28 107.71 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -179.31 -179.15 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.5 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 11.5 ptm180 -87.68 158.31 51.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.8 -8.27 23.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -103.68 56.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 4.7 p -114.85 99.54 52.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.1 Cg_endo -69.76 -7.41 20.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -101.76 -41.6 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -55.64 -22.7 24.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -48.8 -32.48 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -41.52 88.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.16 -54.88 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -59.26 -32.45 70.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.53 -42.49 67.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -61.89 -49.36 76.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 21' ' ' LEU . 1.1 mt -64.77 -56.47 13.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -52.15 -36.93 52.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -77.82 -28.25 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -31.46 67.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.43 1.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG11 HG23 ' A' ' 84' ' ' VAL . 1.6 m -132.32 173.61 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 104.24 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CD1' HD21 ' A' ' 6' ' ' LEU . 37.9 p90 -92.14 144.57 25.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -102.47 113.45 26.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -84.49 113.37 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.579 HD12 ' CE ' ' A' ' 42' ' ' MET . 26.6 mm -96.22 120.36 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.3 143.58 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -61.0 -17.62 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.5 m -49.13 110.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.7 p -64.7 -24.43 67.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.7 m -49.19 -31.89 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.39 -35.08 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.49 ' O ' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.9 -36.52 77.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.445 ' HA ' HG12 ' A' ' 43' ' ' VAL . 38.2 tt0 -67.4 -37.51 83.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.44 -36.04 68.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.579 ' CE ' HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -75.82 -46.53 30.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 39' ' ' ARG . 10.5 p -64.37 -38.72 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' N ' HG13 ' A' ' 43' ' ' VAL . 3.7 pp0? -75.35 -35.4 61.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -79.31 -17.33 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.33 -40.79 10.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.59 -47.6 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.72 -29.07 2.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -177.72 98.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -143.69 149.69 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.632 HG23 ' CD2' ' A' ' 52' ' ' PHE . 11.6 t -141.59 31.93 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CD2' HG23 ' A' ' 51' ' ' THR . 58.2 m-85 -151.05 154.13 33.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.496 ' HB2' HG23 ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.78 144.64 54.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -174.64 177.26 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.601 HD13 ' O ' ' A' ' 64' ' ' GLY . 4.9 mp -102.08 128.68 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.12 145.96 33.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.433 HD13 HD13 ' A' ' 80' ' ' LEU . 67.1 mt -134.13 91.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.92 -98.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -115.54 29.67 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -149.06 119.84 7.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -93.45 119.47 32.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.69 -75.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.77 -58.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.601 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -120.43 173.5 15.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.47 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.0 m -73.01 -66.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.18 -26.17 26.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.71 -47.26 67.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.86 -37.6 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HA ' ' HG2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -66.8 -51.21 58.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.15 -38.84 80.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.762 HD22 ' HG2' ' A' ' 76' ' ' LYS . 14.6 mt -64.66 -55.83 17.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.566 ' OE1' HD11 ' A' ' 21' ' ' LEU . 13.3 pt-20 -57.13 -27.99 62.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -86.24 -23.39 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.46 -21.64 35.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.09 0.54 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.762 ' HG2' HD22 ' A' ' 71' ' ' LEU . 9.7 mptt -86.77 9.68 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.79 -42.83 98.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -51.09 -44.87 61.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -71.3 -45.31 63.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.658 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.6 mm? -55.08 -52.71 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 81' ' ' LEU . 5.2 mt -65.22 -51.45 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -56.87 -23.92 47.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -88.12 -64.69 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.693 HG12 ' HB ' ' A' ' 4' ' ' ILE . 29.5 m -51.51 -29.19 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.748 0.308 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -137.89 146.99 44.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.709 HG21 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -108.09 137.26 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.42 144.17 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.564 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -119.01 118.34 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.531 ' CE1' HG21 ' A' ' 32' ' ' ILE . 93.4 m-85 -100.06 108.18 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -177.41 -179.8 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.515 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 10.8 ptt-85 -88.27 155.54 51.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.19 14.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.52 16.62 9.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 12.8 p -80.03 114.12 43.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.1 Cg_endo -69.75 -14.52 36.23 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -80.12 -36.21 35.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 m -60.74 -24.86 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -40.94 42.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -64.57 -53.23 51.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -54.73 43.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 22' ' ' LEU . 4.7 ptt85 -58.42 -33.93 70.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -64.61 -48.61 74.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.635 HD11 ' OE1' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -61.9 -50.01 73.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.709 HD22 HG21 ' A' ' 4' ' ' ILE . 2.1 mt -62.25 -57.0 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.72 -30.91 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -75.05 -36.13 61.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.766 ' HE3' HD11 ' A' ' 81' ' ' LEU . 3.1 mmtt -71.57 -31.8 67.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.41 45.09 1.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.85 168.83 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -107.91 108.0 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CD1' HD21 ' A' ' 6' ' ' LEU . 41.5 p90 -96.79 145.39 25.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.3 m -108.01 121.34 44.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -86.87 128.01 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.531 HG21 ' CE1' ' A' ' 7' ' ' TYR . 25.3 mm -113.77 121.29 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -54.29 142.14 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -61.13 -18.26 57.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 m -50.81 108.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.725 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 30.7 p -54.28 -25.93 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -50.72 -30.84 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mp -122.81 -29.46 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.725 ' CZ ' HG22 ' A' ' 36' ' ' THR . 5.8 tmm_? -71.16 -39.07 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.92 -46.33 75.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -70.11 -31.59 69.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.483 ' SD ' HD12 ' A' ' 32' ' ' ILE . 5.2 mtt -75.37 -51.48 13.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 39' ' ' ARG . 7.4 p -62.75 -36.15 74.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -75.63 -36.39 60.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.1 tpt85 -80.84 -13.43 58.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.74 -41.15 8.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.71 -40.07 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.71 -46.41 0.86 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -169.77 101.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -153.83 151.11 29.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -141.26 48.41 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -151.53 151.76 29.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.748 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.8 66.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' NE2' ' CD2' ' A' ' 7' ' ' TYR . 2.4 pp0? -178.75 177.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.601 HD13 ' O ' ' A' ' 64' ' ' GLY . 4.5 mp -100.77 118.1 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.401 ' HD2' HE22 ' A' ' 54' ' ' GLN . 0.2 OUTLIER -95.81 138.83 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.495 HG12 HG23 ' A' ' 62' ' ' VAL . 7.9 pt -145.7 122.02 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 50.41 44.0 44.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 65.35 28.21 11.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -137.39 109.72 7.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -66.86 142.85 57.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.495 HG23 HG12 ' A' ' 57' ' ' ILE . 93.9 t -105.4 -69.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.04 -82.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.601 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -103.13 171.2 20.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.52 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.3 t -72.39 -61.06 1.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -54.36 -25.68 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.09 -47.68 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.1 pp -59.74 -38.32 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.487 ' CE1' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -67.65 -53.53 27.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.87 -46.69 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.78 HD22 ' HG2' ' A' ' 76' ' ' LYS . 11.9 mt -60.84 -50.08 74.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.635 ' OE1' HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -56.78 -30.86 64.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -85.16 -25.72 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -77.98 -22.04 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.72 -0.8 5.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.78 ' HG2' HD22 ' A' ' 71' ' ' LEU . 3.7 mptt -85.55 6.86 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.679 ' HG ' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -56.51 -39.37 73.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -53.97 -50.12 67.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -65.44 -50.94 63.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' CD1' HD13 ' A' ' 57' ' ' ILE . 3.1 mm? -54.69 -42.09 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.766 HD11 ' HE3' ' A' ' 25' ' ' LYS . 2.3 mm? -65.51 -47.18 76.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -67.33 -21.88 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -83.21 -37.42 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.504 HG12 ' HB ' ' A' ' 4' ' ' ILE . 33.2 m -82.71 -26.99 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.735 0.303 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.72 146.95 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.648 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -111.21 137.87 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.0 mt -131.45 126.19 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' A' ' 29' ' ' TYR . 2.0 pp -106.47 127.62 53.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.522 ' CE1' HG21 ' A' ' 32' ' ' ILE . 94.6 m-85 -104.39 114.76 29.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.12 -178.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.512 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -85.87 158.21 56.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.76 -5.3 15.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -121.55 60.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.6 p -119.97 108.39 38.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.642 0.734 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.95 22.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -88.11 -34.76 17.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.0 m -55.34 -24.42 29.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -48.78 -38.33 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -53.83 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.02 -54.16 50.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -59.01 -34.01 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.72 -49.02 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.613 HD11 ' OE1' ' A' ' 72' ' ' GLU . 4.5 tt -61.78 -53.48 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.64 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -52.73 -57.7 9.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.38 -39.49 83.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -55.6 -41.65 73.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HE2' HD21 ' A' ' 81' ' ' LEU . 24.4 mmtm -77.2 -31.96 55.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.76 59.51 0.78 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 22' ' ' LEU . 2.7 m -132.28 171.45 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -109.17 111.22 22.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.64 ' HB3' HD23 ' A' ' 22' ' ' LEU . 35.4 p90 -101.15 144.8 29.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.496 ' HB ' HG23 ' A' ' 5' ' ' ILE . 92.3 m -102.6 116.46 32.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.5 115.38 23.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.522 HG21 ' CE1' ' A' ' 7' ' ' TYR . 23.3 mm -99.84 120.33 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.38 142.34 13.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.512 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -63.18 -16.89 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -51.4 103.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.593 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 47.0 p -53.16 -28.16 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 t -50.2 -31.28 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 mt -118.66 -37.43 3.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.593 ' CZ ' HG22 ' A' ' 36' ' ' THR . 7.0 tmm_? -62.49 -49.46 75.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -53.2 -39.74 63.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.45 -49.84 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -51.47 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.13 -35.77 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -59.98 -50.27 74.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -13.18 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.6 55.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.59 -38.54 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 140.67 -38.69 1.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -167.58 103.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -163.32 153.34 15.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 t -149.7 55.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -151.44 154.06 33.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 146.01 59.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.412 ' NE2' ' CD2' ' A' ' 7' ' ' TYR . 2.0 pp0? -178.65 177.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 64' ' ' GLY . 5.1 mp -102.28 113.92 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.93 137.53 33.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.648 HG22 ' CG1' ' A' ' 4' ' ' ILE . 13.9 pt -140.87 121.16 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.17 44.25 26.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.18 31.81 6.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' ILE . 43.7 t80 -140.45 105.16 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -64.4 142.55 58.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.464 HG12 ' HB3' ' A' ' 67' ' ' ASP . 86.3 t -106.77 -68.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.431 ' O ' HD12 ' A' ' 55' ' ' ILE . . . 152.68 -111.34 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.55 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -87.19 173.73 44.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.512 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.5 p -66.12 -38.74 88.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -75.1 -26.29 59.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.464 ' HB3' HG12 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -52.87 -55.22 24.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.5 pp -55.85 -38.69 70.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -52.81 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.93 -52.85 56.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.88 -47.68 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.613 ' OE1' HD11 ' A' ' 21' ' ' LEU . 35.8 tt0 -56.43 -35.41 67.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.66 -23.14 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -78.41 -22.3 47.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.58 -2.2 3.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -83.08 3.41 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.562 ' HG ' HD23 ' A' ' 81' ' ' LEU . 1.1 tt -54.74 -43.82 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -44.06 68.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -69.28 -52.83 23.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.32 -52.51 61.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.579 HD21 ' HE2' ' A' ' 25' ' ' LYS . 3.6 mm? -59.25 -54.53 45.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -58.75 -22.57 58.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -81.32 -68.6 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.498 HG12 ' HB ' ' A' ' 4' ' ' ILE . 33.0 m -50.72 -30.58 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mptt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.766 0.317 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -134.51 146.78 50.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -105.45 138.21 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.475 HG23 ' HB ' ' A' ' 30' ' ' THR . 3.9 mt -131.19 134.45 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.488 HD21 ' CD1' ' A' ' 29' ' ' TYR . 1.7 pp -114.74 120.87 41.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 8' ' ' THR . 95.1 m-85 -97.8 107.59 20.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.81 -178.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 2.9 ptp85 -86.23 158.49 55.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.79 -6.12 17.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -121.02 61.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 p -118.78 109.35 39.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.643 0.735 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.15 20.32 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -94.91 -59.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 p -53.57 -23.33 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -48.33 -32.5 7.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -66.87 -43.17 84.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.447 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -67.16 -54.89 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.477 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -58.49 -32.09 68.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -70.7 -43.83 68.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.28 -49.47 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 19' ' ' ARG . 1.5 mt -62.77 -56.08 20.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.9 -38.12 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -77.76 -26.2 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -32.44 68.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.82 34.54 3.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.543 HG11 HG23 ' A' ' 84' ' ' VAL . 1.3 m -120.57 172.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -107.75 115.97 31.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.488 ' CD1' HD21 ' A' ' 6' ' ' LEU . 47.5 p90 -110.25 142.88 41.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.475 ' HB ' HG23 ' A' ' 5' ' ' ILE . 92.0 m -101.49 116.0 31.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.42 112.49 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.1 mm -98.14 118.21 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -54.09 143.05 23.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.09 -15.83 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -50.14 103.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -53.8 -25.88 21.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.509 ' O ' HD22 ' A' ' 38' ' ' LEU . 2.7 t -49.47 -31.68 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 37' ' ' SER . 4.3 mm? -124.6 -35.46 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 43' ' ' VAL . 12.4 ttp180 -60.21 -34.87 74.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.73 -40.16 91.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.21 -37.34 72.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.12 -50.47 22.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 39' ' ' ARG . 9.7 p -60.85 -38.4 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -75.36 -33.97 61.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -79.0 -17.02 56.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.47 -41.09 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.96 -45.08 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.07 -6.81 3.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -173.43 155.45 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -63.85 149.94 45.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.78 -178.23 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.418 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 13.8 p90 -59.96 157.47 30.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.0 Cg_endo -69.76 157.69 59.52 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -176.04 -179.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.497 HD13 ' C ' ' A' ' 64' ' ' GLY . 5.2 mp -94.65 112.82 27.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.25 143.7 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.431 HD11 ' HD2' ' A' ' 60' ' ' TYR . 1.7 pp -138.8 119.83 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 51.52 -102.16 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.3 40.76 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.431 ' HD2' HD11 ' A' ' 57' ' ' ILE . 41.4 t80 -154.22 147.66 25.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -105.64 111.06 23.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.94 -74.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.44 -81.18 0.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.497 ' C ' HD13 ' A' ' 55' ' ' ILE . . . -109.11 160.4 13.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.8 p -62.28 -37.1 84.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -74.62 -26.69 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -55.09 -55.55 29.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.447 HD21 ' CB ' ' A' ' 18' ' ' ALA . 2.1 pp -57.76 -37.12 73.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.401 ' HA ' ' HG2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -63.62 -51.43 65.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.28 88.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 68' ' ' LEU . 20.1 mt -61.89 -56.32 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HG2' ' HA ' ' A' ' 69' ' ' TYR . 9.8 pt-20 -57.43 -26.65 61.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -86.08 -24.81 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.55 -22.22 41.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.84 -0.64 4.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -85.83 8.86 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.639 ' HG ' HD23 ' A' ' 81' ' ' LEU . 1.4 tt -57.51 -37.89 73.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.63 -44.92 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -72.96 -49.37 29.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.2 mm? -54.69 -40.6 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.639 HD23 ' HG ' ' A' ' 77' ' ' LEU . 3.3 mm? -74.3 -45.23 48.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -61.15 -24.78 66.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.5 -59.69 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 80' ' ' LEU . 33.9 m -56.55 -25.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.7 t60 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -132.64 146.26 51.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.621 HG13 HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -115.33 137.73 47.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.51 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.5 mt -129.59 149.02 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -125.81 114.42 18.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.491 ' CD2' HG21 ' A' ' 32' ' ' ILE . 91.9 m-85 -96.78 113.34 24.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.491 HG21 ' SG ' ' A' ' 15' ' ' CYS . 13.6 t -176.1 179.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.558 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.45 157.12 53.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 110.838 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.75 -16.34 37.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -94.77 36.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -106.87 94.4 10.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.59 26.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -72.93 -9.65 58.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.491 ' SG ' HG21 ' A' ' 8' ' ' THR . 66.7 m -75.4 -21.81 57.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -47.24 -38.43 12.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -62.68 -47.5 83.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -57.64 12.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -53.63 -34.79 59.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -67.3 -41.93 84.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 72' ' ' GLU . 9.9 tt -61.03 -51.39 69.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 29' ' ' TYR . 10.5 mt -61.67 -55.65 28.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.5 -39.81 70.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -62.36 -40.18 95.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HE2' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -71.1 -32.54 69.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.54 50.42 1.84 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG11 HG23 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -126.18 176.49 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.934 0.397 . . . . 0.0 111.129 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -108.54 117.63 34.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CD1' HD21 ' A' ' 6' ' ' LEU . 35.8 p90 -112.19 148.12 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.9 m -114.34 121.5 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -85.72 130.41 34.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 7' ' ' TYR . 30.0 mm -116.08 121.02 66.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -52.06 142.95 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.558 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -61.45 -17.65 55.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -50.5 106.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.699 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 22.1 p -58.92 -25.25 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.41 ' O ' HD22 ' A' ' 38' ' ' LEU . 65.4 p -50.13 -31.52 13.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.41 HD22 ' O ' ' A' ' 37' ' ' SER . 4.2 mm? -122.52 -34.33 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.699 ' CZ ' HG22 ' A' ' 36' ' ' THR . 6.3 tmm_? -62.74 -42.8 99.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.31 -42.12 90.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.22 -45.4 76.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -51.28 65.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.59 -30.3 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.28 -46.15 57.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -79.13 -13.58 59.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.7 -40.75 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.97 -48.15 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.96 -40.24 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.5 ttm-85 -165.55 88.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -148.57 145.98 28.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 t -143.37 48.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -151.45 152.72 31.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.666 0.746 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.02 36.97 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.729 2.286 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.21 177.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.72 132.25 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.82 143.07 45.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.617 ' CD1' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -139.07 107.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.66 -91.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -132.99 23.4 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -132.86 138.6 47.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -110.12 117.46 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.617 HG23 ' CD1' ' A' ' 57' ' ' ILE . 69.8 t -60.92 -75.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.95 -47.29 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -133.71 159.82 23.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.3 m -70.94 -53.82 13.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -55.68 -25.22 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -46.83 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.462 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -69.73 -36.51 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.42 ' CD1' HD11 ' A' ' 68' ' ' LEU . 18.6 m-85 -70.62 -53.55 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.43 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.6 mt -56.57 -48.27 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.731 ' HG3' HD11 ' A' ' 21' ' ' LEU . 6.8 tm-20 -56.26 -40.21 73.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -79.44 -19.5 49.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -81.61 -22.48 37.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.23 -7.46 2.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -73.06 -5.93 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.11 -42.75 29.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.28 -50.49 69.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 t -63.41 -50.8 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.3 mm? -54.8 -34.29 62.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.453 HD11 ' HE2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -70.8 -53.11 16.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -60.59 -24.99 65.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -81.19 -59.33 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.621 HG12 HG13 ' A' ' 4' ' ' ILE . 22.7 m -62.13 -23.48 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.686 0.279 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -142.93 147.35 35.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.708 HD12 HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -107.78 137.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.604 ' N ' HD13 ' A' ' 4' ' ' ILE . 5.6 mt -133.36 144.09 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -118.67 114.44 22.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 32' ' ' ILE . 94.7 m-85 -101.82 107.47 18.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.455 ' C ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -177.2 -178.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.582 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 12.3 ptm180 -86.6 156.78 55.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.617 0.723 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -6.79 19.43 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.709 2.272 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -96.94 48.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 p -117.11 97.61 50.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -7.28 20.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -95.36 -20.89 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.3 m -53.89 -25.86 22.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -50.21 -33.01 17.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -49.54 60.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -54.91 38.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -36.42 75.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.92 -48.93 76.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.92 -53.21 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -53.25 -57.75 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.89 -37.02 75.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.52 -41.6 85.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.635 ' HE3' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -76.59 -32.25 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.01 53.59 1.17 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.613 HG11 HG23 ' A' ' 84' ' ' VAL . 1.1 m -125.57 177.95 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 114.19 27.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.712 ' HB3' HD23 ' A' ' 22' ' ' LEU . 40.9 p90 -104.58 144.91 31.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -109.45 119.39 39.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -84.95 134.96 34.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' A' ' 7' ' ' TYR . 22.3 mm -124.19 120.79 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -56.6 143.04 37.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.582 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -62.8 -16.1 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.6 t -49.8 106.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -56.22 -24.96 45.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' HD22 ' A' ' 38' ' ' LEU . 7.4 t -49.86 -31.51 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 37' ' ' SER . 4.4 mm? -124.43 -34.57 2.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 43' ' ' VAL . 18.4 ttp85 -62.2 -36.23 81.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.666 ' OE1' HG23 ' A' ' 51' ' ' THR . 4.6 tp60 -66.53 -37.48 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -70.4 -48.7 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -51.48 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 39' ' ' ARG . 10.6 p -62.84 -36.34 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.03 -51.3 69.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -79.0 -13.09 60.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.12 -41.09 43.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.29 -45.96 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.96 -57.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.545 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -152.68 116.36 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' HB2' HG22 ' A' ' 43' ' ' VAL . 1.2 m120 -153.46 160.69 42.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.666 HG23 ' OE1' ' A' ' 40' ' ' GLN . 4.0 m -154.34 36.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -147.11 144.26 19.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.53 54.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.374 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -176.76 179.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 64' ' ' GLY . 26.6 mt -96.29 142.87 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.97 139.7 53.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.597 HG22 HG12 ' A' ' 4' ' ' ILE . 9.5 pt -142.56 122.78 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.0 44.82 19.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 66.56 33.67 6.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -144.12 106.14 4.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -65.61 142.7 57.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.421 HG23 HG12 ' A' ' 57' ' ' ILE . 59.9 t -104.34 -56.78 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.98 -110.57 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.598 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -84.74 -177.55 51.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.428 ' HA ' HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -73.42 -61.72 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.26 -26.25 27.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -52.97 -55.25 24.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 55' ' ' ILE . 1.7 pp -56.78 -36.04 69.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -53.01 28.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.77 -52.8 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.14 -47.4 85.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -33.82 66.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.53 -20.28 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -80.44 -22.12 41.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.72 -3.14 3.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -80.94 1.97 28.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.577 ' HG ' HD13 ' A' ' 81' ' ' LEU . 2.1 tt -50.09 -44.34 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -52.93 -43.7 66.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.2 t -68.51 -52.23 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 84' ' ' VAL . 3.6 mm? -54.61 -51.45 65.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.635 HD21 ' HE3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -63.13 -41.22 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -67.49 -23.52 65.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -87.71 -44.44 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.634 HG12 ' HB ' ' A' ' 4' ' ' ILE . 15.0 m -74.47 -23.64 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.739 0.304 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -141.41 147.22 37.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.422 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -119.13 136.78 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.5 mt -134.5 150.98 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.41 114.82 20.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.507 ' CD1' HG21 ' A' ' 32' ' ' ILE . 96.6 m-85 -99.34 109.14 21.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.517 HG23 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -174.96 -179.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.202 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.496 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 4.9 ptp180 -88.86 155.77 49.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.0 22.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.232 . . . . 0.0 112.359 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 63.56 19.33 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.1 p -82.59 120.13 76.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -44.13 2.23 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -52.69 -35.61 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -55.79 -25.2 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -49.48 -41.67 41.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.81 -53.93 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.741 ' O ' HD22 ' A' ' 22' ' ' LEU . . . -59.24 -57.53 12.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -52.92 -35.47 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -70.03 -37.62 75.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.603 HD11 ' CD ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -63.43 -53.93 44.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.741 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -64.78 -45.53 85.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.68 -32.24 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -76.24 -36.47 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -71.49 -32.44 68.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.4 49.1 2.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.459 HG21 ' HB ' ' A' ' 84' ' ' VAL . 1.0 OUTLIER -126.98 175.33 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.08 108.76 19.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.522 ' HB2' HD21 ' A' ' 6' ' ' LEU . 32.6 p90 -101.67 145.71 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 66.6 m -105.26 128.37 53.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.4 138.1 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.507 HG21 ' CD1' ' A' ' 7' ' ' TYR . 24.0 mm -125.48 122.4 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -59.31 142.79 51.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -62.53 -16.94 58.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m -50.13 105.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -52.44 -27.46 16.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m -49.7 -31.68 11.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.2 mt -121.89 -33.7 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -63.84 -45.75 88.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -58.29 -40.69 82.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.84 -47.6 68.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -61.75 -52.28 64.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 50' ' ' ASN . 9.9 p -61.96 -33.92 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.38 -51.51 62.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -78.69 -10.65 59.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.44 -41.89 21.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 1.9 p-10 -130.58 -38.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.44 -47.26 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.496 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 11.8 ptm180 -170.76 161.4 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.429 ' HB3' HG11 ' A' ' 43' ' ' VAL . 5.0 t-20 -176.21 156.9 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 p -139.23 17.4 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -151.41 152.85 31.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.679 0.752 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.517 ' HB2' HG23 ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.73 154.55 67.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -174.65 178.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 mp -101.64 134.41 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.68 137.59 47.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.716 HD12 ' OD2' ' A' ' 83' ' ' ASP . 1.4 pp -149.12 129.26 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.16 56.6 6.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 49.28 34.11 5.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -140.85 112.73 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -73.55 123.1 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.7 t -86.9 -75.1 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.23 -105.07 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.3 163.1 37.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.81 -55.18 32.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.338 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.12 -26.25 37.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -52.61 -55.45 22.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.537 ' CD1' HD13 ' A' ' 21' ' ' LEU . 1.8 pp -56.2 -36.06 67.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -52.97 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.42 -51.75 61.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.51 -48.84 80.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.603 ' CD ' HD11 ' A' ' 21' ' ' LEU . 32.9 tt0 -56.74 -32.68 65.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -85.85 -21.89 27.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -22.0 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.92 -1.95 4.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.438 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.66 6.99 25.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HG ' HD13 ' A' ' 81' ' ' LEU . 1.4 tt -53.45 -43.03 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -53.46 -49.87 66.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.2 t -62.75 -50.97 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.14 -47.88 74.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.52 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -62.66 -38.76 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.07 -23.98 60.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.716 ' OD2' HD12 ' A' ' 57' ' ' ILE . 1.2 m-20 -83.89 -30.98 25.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.459 ' HB ' HG21 ' A' ' 27' ' ' VAL . 29.1 m -88.54 -25.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.756 0.313 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.37 146.76 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.682 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -104.52 137.24 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' N ' HD13 ' A' ' 4' ' ' ILE . 3.5 mt -131.43 123.62 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 6' ' ' LEU . 2.3 pp -103.5 122.78 45.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.569 ' CE2' HG23 ' A' ' 43' ' ' VAL . 95.6 m-85 -100.56 114.92 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.48 -178.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.509 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -86.49 161.71 47.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.858 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -7.11 20.21 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.703 2.269 . . . . 0.0 112.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -98.88 47.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -107.66 90.53 6.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.37 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -63.71 -27.01 68.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -53.63 -22.67 9.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -46.99 -33.88 5.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.16 -48.55 81.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -54.16 35.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -59.12 -31.21 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.82 -48.32 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.33 -45.38 91.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -62.69 -58.14 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -56.75 -38.6 72.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -66.31 -35.94 81.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -71.38 -31.84 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.61 44.85 1.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.84 168.96 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.98 104.57 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.429 ' HB3' HD23 ' A' ' 22' ' ' LEU . 32.3 p90 -95.63 142.26 28.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.442 ' HB ' HG23 ' A' ' 5' ' ' ILE . 52.2 m -107.02 124.47 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -91.29 112.12 23.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD12 ' HE2' ' A' ' 42' ' ' MET . 46.0 mm -95.04 117.57 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.01 143.68 54.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.23 -24.2 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -48.26 116.38 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.5 p -62.71 -23.29 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.567 ' C ' HD22 ' A' ' 38' ' ' LEU . 1.6 p -51.02 -31.87 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD22 ' C ' ' A' ' 37' ' ' SER . 4.4 mm? -123.98 -26.1 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -74.6 -43.02 57.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.45 -47.48 83.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -48.16 70.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.5 ' HE2' HD12 ' A' ' 32' ' ' ILE . 5.4 tpp -61.35 -50.15 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 7' ' ' TYR . 3.8 t -57.36 -49.68 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -53.99 -46.94 71.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -78.79 -10.41 59.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.92 -41.96 22.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -118.14 -43.57 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.37 -16.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -159.24 161.13 35.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -78.44 157.26 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 t -175.79 -171.48 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 11.3 p90 -59.94 157.67 29.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.1 Cg_endo -69.7 154.2 68.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -175.76 -178.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.442 HD13 ' C ' ' A' ' 64' ' ' GLY . 5.2 mp -94.54 112.76 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.16 141.25 28.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.682 HG22 ' CG1' ' A' ' 4' ' ' ILE . 1.1 pp -139.49 115.19 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.15 -98.04 0.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -128.95 29.95 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.833 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.442 ' HD2' HD11 ' A' ' 57' ' ' ILE . 52.2 t80 -142.69 147.22 35.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -107.34 106.11 16.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.7 t -53.79 -74.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.4 -55.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' C ' HD13 ' A' ' 55' ' ' ILE . . . -123.06 148.98 16.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -67.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -54.34 -26.35 29.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -52.61 -41.97 64.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.55 -36.78 84.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -52.9 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.12 -52.37 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.7 mt -59.46 -46.57 88.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.65 -42.67 75.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -80.82 -16.66 53.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.15 -22.33 36.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.26 -5.72 3.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.46 3.33 28.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.665 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -51.11 -43.13 61.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -45.15 69.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.8 t -68.52 -50.62 50.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.71 -52.32 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.665 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -60.81 -49.46 77.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -61.1 -24.31 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.531 ' CG ' HD12 ' A' ' 57' ' ' ILE . 2.9 m-20 -84.41 -63.46 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.4 m -52.84 -32.66 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.735 0.302 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.0 146.24 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.548 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -109.5 138.19 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 mt -132.95 151.92 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -130.41 114.21 15.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 8' ' ' THR . 96.4 m-85 -93.89 116.81 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -177.91 178.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -88.33 155.67 51.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.86 26.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.27 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 63.78 18.76 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.6 119.36 76.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -44.87 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.27 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -52.32 -34.89 49.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.6 m -54.78 -25.7 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -50.04 -36.89 30.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -66.09 -53.24 40.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.75 ' O ' HD22 ' A' ' 22' ' ' LEU . . . -62.92 -57.28 11.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -35.49 42.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.62 -40.03 73.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.61 HD13 ' CD1' ' A' ' 68' ' ' LEU . 3.3 tt -60.38 -54.01 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -65.09 -44.98 87.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.41 -28.7 69.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -77.54 -40.19 43.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -31.9 68.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.61 54.99 1.03 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -133.18 172.7 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.388 . . . . 0.0 111.121 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -110.97 97.49 6.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.588 ' CD1' HD21 ' A' ' 6' ' ' LEU . 42.4 p90 -88.28 139.71 30.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.3 m -98.53 124.6 43.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.0 125.71 39.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.1 mm -107.4 120.93 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -61.36 143.03 56.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -19.81 36.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 m -48.92 118.41 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.8 p -63.79 -24.08 67.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m -49.7 -31.6 11.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.7 mt -124.22 -35.44 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -61.65 -39.99 93.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -61.51 -40.59 95.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.26 -49.69 63.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -63.02 -52.09 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.14 -31.71 48.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.26 -50.38 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -77.68 -9.75 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.91 -41.17 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.63 -39.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.33 25.91 62.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -118.99 -14.43 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 51.18 89.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 -170.25 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.09 159.97 18.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.685 0.755 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.38 63.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.344 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.08 -179.24 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.3 mp -94.3 120.63 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.96 152.34 18.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.415 HD12 ' OD2' ' A' ' 83' ' ' ASP . 1.1 pt -149.0 104.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.36 -87.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -138.0 20.29 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -131.69 149.12 52.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -110.85 115.35 29.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.0 t -54.98 -73.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.13 -33.62 2.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.4 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -155.12 170.08 33.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.529 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 t -68.23 -66.75 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.734 0.302 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -55.07 -26.28 36.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -52.92 -55.17 25.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.61 ' CD1' HD13 ' A' ' 21' ' ' LEU . 1.8 pp -53.81 -36.39 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -52.78 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.67 -51.27 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.89 -46.77 88.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -55.78 -39.79 71.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -81.7 -20.59 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -78.62 -22.44 46.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.97 -2.21 4.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -81.85 1.69 33.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.804 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -51.44 -39.43 57.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.24 -49.39 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.2 t -68.28 -49.01 63.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 84' ' ' VAL . 4.1 mm? -54.42 -42.53 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.804 HD13 ' HG ' ' A' ' 77' ' ' LEU . 4.7 mp -72.28 -41.64 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.42 -26.63 68.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.958 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.415 ' OD2' HD12 ' A' ' 57' ' ' ILE . 28.2 m-20 -83.87 -53.81 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.548 HG12 ' HB ' ' A' ' 4' ' ' ILE . 22.8 m -62.52 -32.2 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -128.26 147.54 50.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.437 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -105.46 138.09 32.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.437 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.2 mt -133.25 122.03 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.643 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -104.67 128.25 52.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.46 ' CD1' HG21 ' A' ' 32' ' ' ILE . 97.0 m-85 -106.97 107.69 18.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.65 -178.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.464 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.29 156.48 54.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 169.31 19.2 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 66.88 11.23 8.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 p -61.49 111.34 4.18 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.616 0.722 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -41.76 4.04 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.759 2.306 . . . . 0.0 112.318 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -69.54 -43.14 73.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -22.88 51.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . 66.0 mttt -48.73 -32.78 9.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -65.51 -51.25 61.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.22 -54.03 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 11.6 ptp180 -60.17 -34.85 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.95 -48.94 76.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.493 HD11 ' OE1' ' A' ' 72' ' ' GLU . 1.2 tt -61.81 -45.82 92.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -57.44 -58.23 9.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -59.7 -32.03 70.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -67.81 -36.75 80.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -76.12 -32.32 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.02 57.64 0.72 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.549 HG21 ' HB ' ' A' ' 84' ' ' VAL . 1.7 m -135.8 170.42 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -109.22 106.36 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.643 ' CD1' HD21 ' A' ' 6' ' ' LEU . 34.2 p90 -96.77 145.88 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.0 m -105.1 119.59 39.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.0 111.29 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 7' ' ' TYR . 26.6 mm -95.92 121.47 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -55.94 142.41 35.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.464 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.91 -18.21 55.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.3 t -50.97 107.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.1 p -54.3 -25.74 25.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -51.06 -31.4 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mp -121.39 -30.4 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -70.0 -45.73 66.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -58.98 -45.9 89.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -68.32 -41.1 81.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -51.9 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.77 -35.3 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -62.03 -50.85 70.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -78.88 -14.3 59.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.84 -41.57 52.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.22 -47.18 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.5 -54.99 0.53 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -142.1 107.07 4.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -173.82 149.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 t -153.49 55.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -151.32 155.33 34.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.749 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 145.02 56.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.722 2.282 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -178.5 177.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 64' ' ' GLY . 5.1 mp -99.7 110.67 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.4 137.82 33.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 1.014 HD11 HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -146.44 118.25 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.53 44.48 22.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.449 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 t70 71.9 30.12 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 57' ' ' ILE . 85.0 t80 -133.44 111.0 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -85.24 130.58 34.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.014 HG23 HD11 ' A' ' 57' ' ' ILE . 43.3 t -98.47 -73.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.3 -84.04 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -86.45 153.33 26.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.0 p -70.53 -35.1 72.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -73.35 -26.29 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -52.84 -54.02 40.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.2 pp -52.9 -38.15 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.98 -52.64 26.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.43 71.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.518 HD23 ' NZ ' ' A' ' 74' ' ' LYS . 96.3 mt -61.44 -48.41 81.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' OE1' HD11 ' A' ' 21' ' ' LEU . 35.3 tt0 -56.12 -35.71 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -85.07 -19.5 31.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.518 ' NZ ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -81.42 -22.12 38.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.62 -2.4 4.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.426 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -89.64 13.01 15.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.69 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.43 -41.0 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -53.47 -47.16 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.8 t -67.64 -50.21 59.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.51 -52.42 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.69 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -61.28 -44.63 96.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.16 -31.49 69.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -76.27 -60.32 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.549 ' HB ' HG21 ' A' ' 27' ' ' VAL . 33.8 m -53.46 -34.08 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.737 0.303 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -130.08 147.66 51.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.628 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -108.65 137.65 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.2 mt -134.16 129.11 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 6' ' ' LEU . 2.6 pp -105.88 121.71 44.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.549 ' CD1' HG21 ' A' ' 32' ' ' ILE . 97.3 m-85 -105.3 112.23 25.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.05 179.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.146 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.82 158.3 50.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.889 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.81 -7.9 22.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -97.72 32.6 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.4 t -107.84 91.68 7.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.09 24.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.8 -14.95 63.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.91 -21.26 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -47.38 -33.77 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -62.28 -54.48 40.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HA ' HD21 ' A' ' 68' ' ' LEU . . . -61.11 -56.91 15.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -53.11 -32.25 46.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.23 -40.23 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.717 HD23 ' CE1' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -62.23 -45.03 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.676 HD13 ' HB3' ' A' ' 29' ' ' TYR . 10.5 mt -68.9 -50.68 47.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.33 -26.96 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -77.28 -40.54 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.764 ' HE3' HD11 ' A' ' 81' ' ' LEU . 5.0 mptp? -71.18 -31.96 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.61 54.88 1.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.438 HG21 ' HB ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -128.96 175.8 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 111.151 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.54 106.62 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.676 ' HB3' HD13 ' A' ' 22' ' ' LEU . 43.4 p90 -100.11 144.32 29.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.401 ' HB ' HG23 ' A' ' 5' ' ' ILE . 52.3 m -103.19 123.51 46.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -87.23 126.67 34.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 7' ' ' TYR . 22.9 mm -116.91 120.17 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.18 143.33 55.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -59.82 -18.35 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -49.11 112.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.8 p -60.85 -24.59 66.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.425 ' C ' HD22 ' A' ' 38' ' ' LEU . 1.1 p -49.37 -31.54 9.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD22 ' C ' ' A' ' 37' ' ' SER . 4.4 mm? -124.22 -36.14 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.544 ' O ' HG12 ' A' ' 43' ' ' VAL . 11.2 ttp180 -61.61 -42.4 98.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.1 -38.0 75.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -70.75 -51.54 26.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -59.03 -51.46 69.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 39' ' ' ARG . 7.7 p -62.4 -35.56 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.19 -50.61 72.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -10.83 59.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.71 -42.53 28.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -114.02 -38.54 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 147.04 -40.98 0.98 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -142.6 147.52 35.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.41 157.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.55 -178.6 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 10.1 p90 -60.14 155.36 45.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.4 Cg_endo -69.69 154.63 67.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 0.0 112.371 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.42 -178.11 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 64' ' ' GLY . 21.6 mt -94.79 115.34 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.36 139.44 31.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.628 HG22 ' CG1' ' A' ' 4' ' ' ILE . 9.8 pt -141.51 121.47 11.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.34 44.72 28.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 66.77 31.51 7.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -141.44 104.9 4.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -63.59 142.96 58.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.525 HG23 HG12 ' A' ' 57' ' ' ILE . 85.9 t -107.04 -66.91 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.01 -82.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.573 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -115.33 -176.18 18.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.1 m -74.96 -56.36 4.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -54.32 -26.53 30.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.18 -54.6 33.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 18' ' ' ALA . 1.4 pp -57.82 -35.37 70.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.717 ' CE1' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -68.24 -53.19 26.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -48.07 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.97 -45.54 88.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -56.61 -36.11 69.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -86.36 -22.26 26.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.45 -22.74 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.27 -2.73 6.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.61 7.0 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.723 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -54.35 -40.01 67.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.409 ' N ' HD23 ' A' ' 77' ' ' LEU . 1.3 m-20 -54.43 -49.89 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.9 t -64.92 -49.44 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.79 -50.22 69.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.764 HD11 ' HE3' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -65.16 -35.8 82.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.09 -27.47 65.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -81.0 -44.84 17.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' A' ' 81' ' ' LEU . 32.7 m -73.22 -28.27 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -142.16 146.31 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.675 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -106.42 137.37 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.658 HG23 ' HB ' ' A' ' 30' ' ' THR . 5.3 mt -133.2 118.65 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 29' ' ' TYR . 2.5 pp -99.4 124.17 44.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 8' ' ' THR . 85.3 m-85 -99.57 106.23 18.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 177.35 -179.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.161 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.787 ' HD2' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -113.66 158.16 39.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.913 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.74 -2.58 10.4 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.62 2.213 . . . . 0.0 112.377 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -71.92 -54.48 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 p -58.89 120.42 46.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.615 0.721 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -38.81 7.22 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -38.06 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.9 m -53.73 -26.09 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . 18.7 mttm -52.22 -32.75 38.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -63.68 -52.44 60.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.701 ' O ' HD22 ' A' ' 22' ' ' LEU . . . -58.79 -57.72 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 14.4 ptp180 -54.34 -36.08 63.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.49 -37.2 79.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.686 HD11 ' OE1' ' A' ' 72' ' ' GLU . 4.8 tt -61.59 -54.42 43.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -61.43 -48.14 82.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.11 -27.02 69.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -41.58 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.647 ' HE2' HD13 ' A' ' 81' ' ' LEU . 25.0 mmmt -71.04 -32.01 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.34 54.79 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.48 170.92 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 92.69 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' HD21 ' A' ' 6' ' ' LEU . 28.5 p90 -85.22 143.85 28.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.658 ' HB ' HG23 ' A' ' 5' ' ' ILE . 85.9 m -98.3 111.12 23.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.48 112.0 19.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mm -94.85 123.39 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.88 143.54 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.787 ' HB2' ' HD2' ' A' ' 9' ' ' ARG . . . -52.98 -23.11 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 m -48.82 104.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.6 p -57.56 -23.58 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' HD22 ' A' ' 38' ' ' LEU . 5.5 p -49.93 -31.63 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 37' ' ' SER . 4.1 mm? -123.32 -33.57 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -42.62 91.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -63.6 -43.3 97.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.42 -42.09 88.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.2 tpp -68.43 -51.57 42.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.77 -30.42 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -74.31 -45.97 44.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -78.5 -10.9 59.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.26 -40.82 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.35 -46.95 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.54 -35.64 2.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -177.13 89.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -120.0 157.35 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.0 t -147.59 27.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -151.74 147.4 20.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.03 55.76 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.68 177.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.7 mp -97.42 116.8 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.12 144.1 26.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.564 HG22 HG12 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -142.68 110.75 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.6 -92.4 0.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -134.25 24.06 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.333 . . . . 0.0 110.836 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.404 ' HD2' HD11 ' A' ' 57' ' ' ILE . 55.9 t80 -136.33 147.27 47.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -108.94 110.68 22.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.2 t -51.34 -74.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.93 -49.67 0.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -149.22 167.74 29.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.7 p -63.78 -38.88 92.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.74 -26.38 57.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -59.85 -55.56 32.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.636 ' CD1' HD13 ' A' ' 21' ' ' LEU . 2.1 pp -54.67 -38.33 66.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.536 ' CE1' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -66.96 -53.41 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.67 -48.33 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.75 HD22 ' HG2' ' A' ' 76' ' ' LYS . 10.6 mt -59.36 -49.37 78.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.686 ' OE1' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -56.93 -32.01 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -83.82 -25.0 30.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -78.72 -22.28 46.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.22 -0.43 4.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.75 ' HG2' HD22 ' A' ' 71' ' ' LEU . 4.3 mptp? -85.26 6.25 26.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.04 -46.77 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -50.58 -41.77 54.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -70.61 -47.91 57.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.02 -52.55 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.647 HD13 ' HE2' ' A' ' 25' ' ' LYS . 6.0 mt -63.28 -43.3 98.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -58.5 -34.23 70.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -75.93 -62.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.675 HG12 ' HB ' ' A' ' 4' ' ' ILE . 32.7 m -53.15 -32.51 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.779 0.323 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -131.41 145.87 52.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.622 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -115.3 137.27 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.543 HG23 ' HB ' ' A' ' 30' ' ' THR . 4.6 mt -132.31 123.88 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.642 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -100.93 127.36 47.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.536 ' CE1' HG21 ' A' ' 32' ' ' ILE . 92.3 m-85 -107.05 112.52 25.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -176.45 -179.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 4.9 ptp180 -90.63 158.23 43.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.638 0.732 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -101.66 33.68 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.7 t -106.96 94.13 10.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.633 0.73 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.34 23.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.389 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -13.09 61.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.1 m -74.06 -22.56 59.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -47.96 -33.64 8.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -64.28 -54.82 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -57.88 -57.5 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -53.76 -36.06 61.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -64.5 -40.34 95.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.608 HD21 ' OE2' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -63.93 -49.37 72.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 29' ' ' TYR . 14.3 mt -58.5 -56.29 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -59.47 -31.77 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -66.02 -41.79 90.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -72.02 -32.38 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.41 52.06 1.09 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -128.23 172.82 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.964 0.411 . . . . 0.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 113.52 27.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.642 ' CD1' HD21 ' A' ' 6' ' ' LEU . 36.9 p90 -105.01 143.81 32.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.543 ' HB ' HG23 ' A' ' 5' ' ' ILE . 61.8 m -104.72 117.33 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.141 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -84.23 119.28 24.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 7' ' ' TYR . 46.4 mm -107.53 119.26 56.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -66.75 143.8 56.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.7 -19.42 26.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -47.25 105.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -53.66 -25.52 18.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.7 m -49.56 -31.69 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.1 mt -123.47 -35.17 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -37.52 79.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.87 -41.71 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -66.83 -45.6 77.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.3 mmt -66.58 -52.24 47.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.32 -32.05 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -70.63 -50.59 35.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -74.16 -10.42 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.35 -40.76 11.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -136.43 -34.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.21 49.85 2.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -175.58 138.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -93.31 134.35 35.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.04 -170.24 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -60.19 160.63 16.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 8' ' ' THR . 53.1 Cg_endo -69.82 142.96 49.09 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.638 2.226 . . . . 0.0 112.363 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -153.78 179.62 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.2 mp -99.86 116.37 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.35 132.65 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.604 HG22 HG12 ' A' ' 4' ' ' ILE . 14.7 pt -138.06 130.21 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.81 51.36 10.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 55.55 34.09 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -142.73 108.65 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -63.62 138.02 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.422 HG21 HD13 ' A' ' 57' ' ' ILE . 94.8 t -105.77 -69.75 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.9 -123.89 1.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -82.63 173.2 52.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.1 m -58.95 -61.79 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.36 -26.41 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -52.79 -55.31 23.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.418 HD21 ' CB ' ' A' ' 18' ' ' ALA . 1.7 pp -56.33 -36.49 68.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CE1' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -66.81 -53.2 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.87 59.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.88 -48.06 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.608 ' OE2' HD21 ' A' ' 21' ' ' LEU . 36.0 tt0 -56.78 -34.14 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -83.27 -22.68 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -79.74 -22.24 43.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.56 -1.06 4.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -85.02 5.12 30.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.4 ' C ' HD23 ' A' ' 77' ' ' LEU . 5.4 tt -51.87 -48.58 63.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.78 -41.82 57.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.8 t -68.43 -48.51 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.514 HD13 ' CD1' ' A' ' 57' ' ' ILE . 3.9 mm? -58.9 -52.87 63.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.467 ' HA ' HG22 ' A' ' 84' ' ' VAL . 6.3 mt -61.08 -39.42 89.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -71.84 -22.67 61.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -86.52 -33.41 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' A' ' 4' ' ' ILE . 32.4 m -87.44 -24.77 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.713 0.292 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.99 147.01 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.656 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -108.54 137.63 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.5 mt -134.34 150.64 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.479 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.99 114.03 18.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 8' ' ' THR . 94.0 m-85 -95.66 107.38 19.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.73 -178.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -87.1 155.93 54.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.72 . . . . 0.0 110.842 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.77 52.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 7.9 p -123.97 98.47 39.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.663 0.744 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.2 Cg_endo -69.76 -7.32 20.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.5 -20.49 18.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 m -54.76 -25.77 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -50.13 -36.79 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -64.13 -50.58 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.4 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -60.63 -31.08 70.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.57 -49.11 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.534 HD23 ' N ' ' A' ' 22' ' ' LEU . 2.4 tt -61.29 -52.41 64.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 4' ' ' ILE . 2.5 mt -59.21 -56.42 22.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.03 -29.71 60.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -40.63 75.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -70.91 -31.88 68.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.17 54.09 0.86 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.444 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG11 HG23 ' A' ' 84' ' ' VAL . 1.2 m -131.54 166.06 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -105.6 107.58 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.479 ' HB2' HD21 ' A' ' 6' ' ' LEU . 42.4 p90 -94.96 145.67 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.6 m -110.44 120.37 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.86 126.0 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.428 HD12 ' CE ' ' A' ' 42' ' ' MET . 30.5 mm -111.53 117.74 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -53.09 143.54 17.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.56 -17.86 48.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 m -48.74 110.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -63.43 -24.27 67.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.6 p -49.62 -31.48 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 mt -125.32 -35.13 2.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.529 ' O ' HG12 ' A' ' 43' ' ' VAL . 9.7 tmm_? -61.55 -35.74 78.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.55 -41.22 93.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.06 -35.63 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.428 ' CE ' HD12 ' A' ' 32' ' ' ILE . 1.9 tpp -73.92 -50.78 18.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 39' ' ' ARG . 10.7 p -61.43 -37.35 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -75.86 -35.02 60.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -79.62 -15.63 57.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -40.89 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -39.48 9.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.87 -74.76 0.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -106.65 127.91 53.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -49.93 139.73 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.8 -169.87 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -60.18 161.03 14.15 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.54 179.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.42 116.85 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.93 136.79 34.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.656 HG22 ' CG1' ' A' ' 4' ' ' ILE . 13.9 pt -140.72 122.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.34 43.61 26.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 66.55 31.85 7.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -140.16 108.38 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -63.83 142.51 58.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.89 -31.58 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.24 -73.74 0.38 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.14 150.77 17.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -35.46 76.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.29 -26.36 65.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -36.93 77.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -68.53 -34.96 76.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 12.8 m-85 -72.75 -53.18 12.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.0 86.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.061 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 76' ' ' LYS . 27.0 mt -65.84 -53.08 44.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG2' HD12 ' A' ' 77' ' ' LEU . 4.1 tm-20 -55.49 -37.81 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -82.21 -21.24 36.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -22.74 42.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.72 -3.25 4.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.502 ' HG2' HD22 ' A' ' 71' ' ' LEU . 4.9 mptp? -80.85 2.31 26.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.574 HD12 ' HG2' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -50.18 -43.99 52.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.932 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.86 -49.98 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.5 t -65.83 -40.83 92.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.564 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.5 mm? -61.07 -44.79 96.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.473 ' HA ' HG22 ' A' ' 84' ' ' VAL . 5.0 mt -65.92 -43.02 89.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -71.68 -20.93 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.23 -34.32 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.626 HG23 HG11 ' A' ' 27' ' ' VAL . 32.4 m -85.97 -20.69 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.714 0.293 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.0 146.68 34.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.636 HD12 HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -109.93 137.06 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.2 mt -129.74 148.41 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 29' ' ' TYR . 4.1 mt -115.54 139.27 50.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -123.2 106.52 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.437 ' C ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -176.46 -178.25 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -86.49 156.82 56.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.882 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.73 -7.63 21.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -96.17 48.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 p -114.19 94.98 37.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.63 21.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.18 -11.53 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.76 -25.9 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -50.15 -35.6 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.1 mmt-85 -64.05 -50.04 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.51 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -61.55 -30.86 70.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.07 -49.74 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.694 HD21 ' CD ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -61.73 -53.21 59.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.769 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -56.86 -56.99 14.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.22 -44.5 79.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -55.49 -41.04 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.736 ' HE3' HD11 ' A' ' 81' ' ' LEU . 4.6 mptp? -71.36 -33.0 69.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.8 52.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.662 HG11 HG23 ' A' ' 84' ' ' VAL . 7.5 m -129.24 -176.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.115 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -122.35 109.96 15.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.769 ' HB3' HD23 ' A' ' 22' ' ' LEU . 31.6 p90 -100.43 141.57 33.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.1 m -110.39 110.75 21.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -78.07 136.93 37.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mm -121.16 120.99 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.89 144.46 38.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HB2' ' C ' ' A' ' 8' ' ' THR . . . -76.41 59.43 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -127.16 105.52 8.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 p -47.21 -29.03 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.69 -31.53 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.91 -38.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' HG12 ' A' ' 43' ' ' VAL . 9.3 ttp180 -57.97 -33.14 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -62.36 -44.06 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -69.75 -44.9 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -52.58 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 50' ' ' ASN . 6.8 p -62.44 -32.75 56.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -65.71 -51.18 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -78.74 -10.59 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.87 -41.75 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 2.1 p-10 -132.21 -36.72 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.5 -55.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 31.6 ttm180 -173.34 124.41 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.565 ' HB3' HG21 ' A' ' 43' ' ' VAL . 10.6 t-20 -139.78 172.9 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 51' ' ' THR . 3.8 m -158.29 30.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.401 ' N ' HH22 ' A' ' 39' ' ' ARG . 53.8 m-85 -151.61 151.45 28.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.78 52.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.748 2.298 . . . . 0.0 112.366 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -178.21 178.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.53 131.84 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' O ' HD13 ' A' ' 57' ' ' ILE . 1.8 t80 -102.92 135.74 44.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.651 HG22 ' HB3' ' A' ' 83' ' ' ASP . 10.0 mm -123.49 101.64 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 52.45 -101.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -114.71 37.09 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.485 ' HE2' HG22 ' A' ' 62' ' ' VAL . 11.2 t80 -149.01 147.44 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -109.96 118.93 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.602 HG23 HG12 ' A' ' 57' ' ' ILE . 89.2 t -72.48 -74.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.6 -47.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.3 144.69 16.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.2 p -64.94 -36.8 85.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -68.0 -26.15 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -36.54 76.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -70.05 -35.75 74.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.42 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 12.5 m-85 -71.41 -53.39 14.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.07 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.645 HD22 ' HG3' ' A' ' 76' ' ' LYS . 34.9 mt -59.95 -49.15 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.694 ' CD ' HD21 ' A' ' 21' ' ' LEU . 27.5 tt0 -56.12 -42.07 76.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.7 -20.68 53.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -23.0 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.13 -7.34 3.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.645 ' HG3' HD22 ' A' ' 71' ' ' LEU . 34.5 mmtm -77.89 -1.53 32.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -50.71 -40.61 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -55.11 -50.0 70.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.9 t -68.32 -47.02 68.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.617 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.2 mm? -54.64 -51.79 64.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.8 HD13 ' HG ' ' A' ' 77' ' ' LEU . 1.7 mp -63.89 -46.64 83.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -61.2 -24.92 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.651 ' HB3' HG22 ' A' ' 57' ' ' ILE . 90.5 m-20 -87.0 -62.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.662 HG23 HG11 ' A' ' 27' ' ' VAL . 31.9 m -52.04 -31.58 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.443 ' HA ' HG12 ' A' ' 27' ' ' VAL . 3.1 m170 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mptt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.775 0.322 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.06 147.06 44.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.611 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -112.33 138.01 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.7 mt -132.78 151.15 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.34 114.0 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 8' ' ' THR . 96.0 m-85 -96.21 107.48 19.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.41 -178.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.539 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 21.4 ptt-85 -86.87 156.88 55.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.71 -6.89 19.65 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -100.25 53.54 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 8.3 p -120.76 101.49 45.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.79 -7.84 22.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -92.19 -25.79 18.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.7 m -55.84 -25.35 41.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -49.67 -39.72 37.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -64.46 -53.74 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.26 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -57.25 -33.9 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -69.11 -39.9 78.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.646 HD22 ' CD1' ' A' ' 68' ' ' LEU . 3.6 tp -65.07 -46.5 80.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.612 HD13 ' HB3' ' A' ' 29' ' ' TYR . 4.6 mt -68.06 -47.85 67.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -63.07 -29.38 70.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -76.31 -39.0 55.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.674 ' CE ' HD11 ' A' ' 81' ' ' LEU . 11.3 mmtt -71.54 -32.0 67.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.15 49.84 1.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -125.16 172.65 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 111.109 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.12 105.73 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.612 ' HB3' HD13 ' A' ' 22' ' ' LEU . 38.2 p90 -97.47 144.63 27.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.2 m -107.88 117.73 34.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.44 121.43 27.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.408 HG21 ' CD1' ' A' ' 7' ' ' TYR . 28.9 mm -106.92 118.96 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.35 143.18 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.539 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.88 -17.54 51.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 t -49.6 104.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.0 p -54.45 -26.23 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.5 m -49.73 -31.4 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tp -121.9 -35.05 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -46.8 81.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -41.1 71.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -68.24 -49.47 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.3 -51.81 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.11 -33.73 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -61.94 -51.44 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.03 -12.7 59.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.15 -41.6 41.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.46 -43.96 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.13 27.92 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -176.24 173.21 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.81 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -145.3 143.21 30.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.75 -70.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -130.2 153.48 81.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.02 28.96 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.728 2.286 . . . . 0.0 112.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.73 178.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 64' ' ' GLY . 4.6 mp -97.35 118.73 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.97 139.97 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.611 HG22 ' CG1' ' A' ' 4' ' ' ILE . 11.5 pt -141.92 120.93 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.68 43.24 29.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 67.73 31.43 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -140.7 108.04 5.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -63.03 142.91 58.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.448 HG23 HG12 ' A' ' 57' ' ' ILE . 99.3 t -101.73 -69.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.6 -68.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.614 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -135.25 -174.84 13.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.434 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.28 -64.41 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -55.25 -25.72 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.53 -55.28 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.646 ' CD1' HD22 ' A' ' 21' ' ' LEU . 2.1 pp -52.08 -37.96 55.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.595 ' CE1' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.55 -51.04 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.01 82.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.82 -56.18 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.635 ' OE1' HD21 ' A' ' 21' ' ' LEU . 19.2 pt-20 -57.34 -27.8 62.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -86.43 -23.82 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -22.43 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.76 -1.2 4.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.91 11.33 16.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.715 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -56.21 -39.69 72.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.72 -49.88 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.9 t -65.04 -49.21 71.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -54.9 -51.86 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.715 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -61.32 -39.74 91.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -70.22 -23.43 62.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -85.3 -40.54 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 81' ' ' LEU . 33.7 m -77.96 -33.4 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 m170 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.718 0.294 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.6 148.17 37.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.606 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -106.4 137.71 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.585 HG23 ' HB ' ' A' ' 30' ' ' THR . 5.4 mt -138.94 114.5 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.03 130.56 35.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' HG23 ' A' ' 8' ' ' THR . 63.0 m-85 -107.15 107.43 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 179.91 173.89 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -87.57 156.61 53.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.09 7.25 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 65.72 13.56 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.3 p -84.96 114.56 56.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -16.17 37.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -78.13 -35.4 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.3 m -62.55 -24.73 67.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -49.35 -40.17 34.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -65.09 -53.3 47.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.29 -54.25 49.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -58.98 -33.98 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.29 -49.09 73.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 21' ' ' LEU . 9.9 tt -61.37 -47.58 85.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -58.68 -58.25 9.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.11 -37.33 69.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -65.17 -37.63 87.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' HG2' HD22 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -72.26 -32.41 66.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.52 46.5 1.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -126.69 171.8 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 111.104 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.57 106.56 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.655 ' HB3' HD23 ' A' ' 22' ' ' LEU . 36.0 p90 -92.73 145.93 24.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' HG23 ' A' ' 5' ' ' ILE . 55.1 m -105.34 124.67 49.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.26 122.87 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CE1' ' A' ' 7' ' ' TYR . 31.8 mm -109.18 116.67 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -63.38 143.72 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.65 -23.13 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.6 m -47.7 109.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -53.27 -25.72 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 t -49.24 -32.09 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 tp -125.59 -33.16 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.561 HH22 ' N ' ' A' ' 52' ' ' PHE . 1.4 tpt180 -65.56 -40.97 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -72.74 -44.28 61.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -66.72 -42.04 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.43 ' CE ' HD12 ' A' ' 32' ' ' ILE . 12.3 tpp -67.74 -52.31 38.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 p -61.51 -30.11 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.39 -48.31 42.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -78.33 -9.93 59.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 -40.73 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.03 -45.0 3.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.26 -38.52 1.85 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.49 105.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.851 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -152.85 154.78 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 t -146.79 17.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' N ' HH22 ' A' ' 39' ' ' ARG . 25.0 m-85 -117.23 148.27 42.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.86 46.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.74 178.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.542 HD13 HD23 ' A' ' 68' ' ' LEU . 8.4 mt -108.97 125.23 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.56 135.86 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.535 HG22 HG12 ' A' ' 4' ' ' ILE . 7.0 pt -144.52 122.93 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.42 42.89 19.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 66.72 34.26 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -142.77 112.83 7.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -68.94 142.63 54.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.465 HG23 HG12 ' A' ' 57' ' ' ILE . 94.5 t -109.63 -70.5 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.1 -134.14 5.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.527 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -57.01 -179.25 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.518 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.518 ' HA ' HD11 ' A' ' 55' ' ' ILE . 3.9 m -76.34 -56.54 4.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -54.99 -25.82 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.58 -55.14 24.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.542 HD23 HD13 ' A' ' 55' ' ' ILE . 1.9 pp -53.93 -37.6 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -52.88 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.05 -52.53 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.43 -46.68 86.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -56.12 -39.6 72.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -80.94 -20.35 42.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -22.46 42.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.08 -4.48 3.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -79.15 -0.35 31.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.466 HD11 HD11 ' A' ' 81' ' ' LEU . 1.8 tp -49.32 -46.94 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -53.08 -43.8 67.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 t -72.58 -52.86 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 57' ' ' ILE . 2.9 mm? -53.37 -52.99 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.485 HD22 ' HG2' ' A' ' 25' ' ' LYS . 30.9 mt -61.11 -51.64 68.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -59.23 -22.34 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -82.3 -52.46 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.606 HG12 ' HB ' ' A' ' 4' ' ' ILE . 18.3 m -65.52 -22.78 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.721 0.296 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.15 144.56 47.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.761 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -96.66 138.36 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.0 mt -133.6 150.95 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -128.71 114.62 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 8' ' ' THR . 97.3 m-85 -94.8 110.68 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.63 -178.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.486 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 11.2 ptm180 -87.15 158.92 52.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.81 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -106.19 55.89 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 5.3 p -113.72 98.53 47.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.74 -6.92 19.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -102.62 -41.47 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -54.58 -23.25 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -48.61 -39.15 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -62.36 -40.15 95.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.576 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -64.56 -54.6 29.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.449 ' HA ' HD12 ' A' ' 22' ' ' LEU . 16.8 ptm180 -59.18 -32.09 69.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -71.43 -43.24 67.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.666 HD11 ' HG3' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -61.38 -48.77 79.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.527 HD22 HG21 ' A' ' 4' ' ' ILE . 1.2 mt -65.0 -57.23 9.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -52.51 -35.51 53.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -77.81 -28.41 50.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -31.89 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.69 54.24 0.65 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.584 HG21 ' HB ' ' A' ' 84' ' ' VAL . 3.1 m -146.46 177.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.353 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -118.6 106.21 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.565 ' CD1' HD21 ' A' ' 6' ' ' LEU . 37.1 p90 -92.34 145.37 24.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.7 m -104.97 115.76 30.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -84.83 125.56 32.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.424 HG21 ' CD1' ' A' ' 7' ' ' TYR . 50.9 mm -109.36 117.35 54.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.6 142.81 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.48 -18.54 52.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -50.91 114.74 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.584 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 68.5 p -66.48 -24.74 66.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 p -49.9 -31.45 12.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -123.18 -35.21 3.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' CZ ' HG22 ' A' ' 36' ' ' THR . 6.0 ttp180 -61.41 -39.95 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -58.78 -40.04 82.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -70.75 -49.62 44.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.421 ' CE ' HD12 ' A' ' 32' ' ' ILE . 5.8 tpp -59.73 -51.46 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 39' ' ' ARG . 8.5 p -63.21 -35.04 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -61.48 -50.19 73.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -81.33 -11.35 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.4 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -113.53 -38.62 4.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.23 23.71 3.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -174.97 165.76 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.67 132.73 50.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.64 -170.61 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.42 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 10.6 p90 -59.63 157.8 25.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 53.3 Cg_endo -69.77 159.05 54.84 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.249 . . . . 0.0 112.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -175.02 -178.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.53 HD13 ' O ' ' A' ' 64' ' ' GLY . 5.4 mp -94.17 119.15 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.29 148.9 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.8 mt -137.28 91.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.78 -86.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -130.44 15.39 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -128.97 129.92 46.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -99.49 116.73 32.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.72 -74.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.95 -8.65 7.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.53 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -174.9 169.03 41.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.8 m -82.35 -51.7 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.36 -25.37 23.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.5 -40.67 66.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -69.61 -37.37 76.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.429 ' CD1' HD11 ' A' ' 68' ' ' LEU . 16.7 m-85 -71.77 -52.9 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.12 -52.27 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 ' HE2' ' A' ' 74' ' ' LYS . 79.7 mt -57.86 -47.44 82.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.666 ' HG3' HD11 ' A' ' 21' ' ' LEU . 6.6 tm-20 -56.41 -39.32 72.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -85.3 -12.32 52.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.496 ' HE2' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -86.27 -22.87 26.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.33 -6.73 3.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HG3' HD22 ' A' ' 71' ' ' LEU . 40.0 mmtt -77.09 -2.16 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -52.48 -43.53 65.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -51.75 -44.7 63.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -68.76 -50.06 53.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.683 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.9 mm? -54.73 -47.55 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.12 -47.39 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -61.64 -24.96 67.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -86.36 -62.21 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.761 HG12 ' HB ' ' A' ' 4' ' ' ILE . 27.7 m -52.01 -30.7 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.182 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.0 m170 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 121.411 0.45 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 170.02 17.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -85.87 -177.31 50.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 18.9 m -160.71 119.4 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 ptm -132.66 133.9 44.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.53 178.03 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.94 146.7 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.628 HG12 HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -104.04 137.68 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.1 mt -131.46 126.31 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.62 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -106.81 126.34 52.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 8' ' ' THR . 97.1 m-85 -105.34 107.58 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 179.98 -179.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.095 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 20.8 ptt180 -87.61 158.69 50.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.79 -8.19 22.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.336 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -100.75 54.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 4.9 p -114.84 98.25 49.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.83 -6.35 18.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -103.59 -40.96 6.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.4 p -55.0 -23.48 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -48.68 -32.75 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -66.12 -47.05 75.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -61.82 -54.07 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.04 -36.23 76.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.1 -48.55 78.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD12 ' CE1' ' A' ' 69' ' ' TYR . 7.0 tt -60.55 -46.62 89.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -56.59 -58.05 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -58.86 -31.61 68.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -67.4 -40.16 85.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.807 ' HE3' HD11 ' A' ' 81' ' ' LEU . 19.0 mmtt -72.0 -32.09 66.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.95 47.08 1.29 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG11 HG23 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -123.15 174.24 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 111.12 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.45 111.04 22.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.62 ' CD1' HD21 ' A' ' 6' ' ' LEU . 35.6 p90 -103.59 138.33 40.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.443 ' HB ' HG23 ' A' ' 5' ' ' ILE . 89.7 m -100.81 118.16 36.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -87.1 111.51 20.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG21 ' CD1' ' A' ' 7' ' ' TYR . 31.4 mm -97.61 121.83 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -58.32 143.2 45.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.14 -20.65 27.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 p -49.58 106.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.52 HG22 ' HE ' ' A' ' 39' ' ' ARG . 63.6 p -56.01 -24.65 40.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -50.91 -31.41 17.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.06 -29.97 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.52 ' HE ' HG22 ' A' ' 36' ' ' THR . 5.0 tmm_? -70.07 -44.3 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -59.95 -45.99 90.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.05 -41.99 81.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -52.65 60.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.01 -34.47 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.75 -49.87 73.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.43 -11.07 59.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.32 -42.68 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -113.32 -38.24 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.99 -35.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -170.04 113.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -174.49 153.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 t -153.07 53.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -150.18 157.94 36.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.9 41.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' NE2' ' HB2' ' A' ' 7' ' ' TYR . 1.2 pp0? -178.27 175.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.519 HD13 ' C ' ' A' ' 64' ' ' GLY . 5.0 mp -102.89 113.09 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.3 140.82 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.628 HG22 HG12 ' A' ' 4' ' ' ILE . 1.1 pp -140.81 113.44 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.04 -96.98 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.525 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -129.26 30.99 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.4 ' HD2' HD11 ' A' ' 57' ' ' ILE . 59.1 t80 -142.95 147.14 34.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -111.2 105.05 13.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.33 -73.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.34 -75.26 0.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.519 ' C ' HD13 ' A' ' 55' ' ' ILE . . . -95.27 160.74 23.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 43.3 t -70.87 -60.31 2.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.02 -26.05 34.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.47 -51.34 59.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 18' ' ' ALA . 1.9 pp -57.71 -36.55 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE1' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.33 -52.97 27.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.16 -52.54 62.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.92 -48.32 81.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -56.57 -34.62 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -84.07 -21.45 31.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 -22.01 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.44 -2.84 3.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -84.17 4.56 29.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.68 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -51.85 -41.65 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -53.52 -47.33 70.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 t -66.76 -50.32 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.72 -52.32 62.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.807 HD11 ' HE3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -62.42 -39.54 93.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.9 -25.33 65.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -85.09 -49.18 8.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.506 HG23 HG11 ' A' ' 27' ' ' VAL . 27.6 m -68.58 -26.58 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 121.45 0.472 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 136.21 32.61 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -153.98 120.18 1.01 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.2 m -74.25 158.2 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.356 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 tpp -125.12 -43.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -98.21 150.55 21.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.43 146.24 41.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.569 HG13 HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -111.21 137.82 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.1 mt -130.68 145.11 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -120.41 114.29 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' HG23 ' A' ' 8' ' ' THR . 93.7 m-85 -94.61 113.56 25.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.49 179.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.91 156.5 52.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.76 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -98.07 52.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 p -116.27 96.05 46.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -8.01 22.49 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.18 -12.18 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 m -54.28 -24.26 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -48.84 -39.58 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.2 mtt-85 -61.88 -54.56 40.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -58.17 9.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -54.43 -31.53 55.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.54 -43.94 75.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.754 HD11 ' HG3' ' A' ' 72' ' ' GLU . 7.6 tt -61.4 -53.27 58.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 29' ' ' TYR . 9.7 mt -62.01 -51.48 67.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.93 -38.65 76.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -64.55 -39.13 93.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -32.58 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.42 45.65 3.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.2 176.17 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.945 0.402 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -106.67 114.41 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.603 ' HB2' HD21 ' A' ' 6' ' ' LEU . 40.0 p90 -106.94 146.97 30.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.012 0.434 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.7 m -115.99 117.24 29.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -82.63 133.62 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -119.34 120.46 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -53.56 143.51 19.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -59.16 -18.95 40.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -50.24 104.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.403 HG22 ' NH2' ' A' ' 39' ' ' ARG . 73.2 p -52.55 -27.44 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t -50.83 -30.72 15.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.8 mt -120.2 -34.08 3.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' NH2' HG22 ' A' ' 36' ' ' THR . 39.1 ttp85 -66.86 -48.6 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -59.32 -41.67 89.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.28 -45.81 79.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.56 -52.01 59.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 50' ' ' ASN . 10.0 p -61.49 -31.41 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -48.59 59.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -78.95 -11.05 59.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.68 -40.97 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.03 -46.67 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.99 -45.7 1.06 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -160.23 94.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' HB3' HG22 ' A' ' 43' ' ' VAL . 20.5 t-20 -157.32 147.5 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -146.73 53.68 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -151.35 156.45 34.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.628 0.728 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 136.94 34.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -174.87 176.33 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 55' ' ' ILE . 5.1 mp -102.41 117.05 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.3 143.75 27.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.652 ' CD1' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -140.69 103.64 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.02 -91.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -131.43 22.04 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -128.2 146.83 50.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -118.17 118.57 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.652 HG23 ' CD1' ' A' ' 57' ' ' ILE . 69.0 t -69.72 -75.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.51 -47.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.466 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -131.66 132.51 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.6 p -53.21 -42.01 65.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.344 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.09 -25.64 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -41.54 77.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -70.2 -34.77 73.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -71.84 -53.1 14.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.1 78.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.037 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' A' ' 76' ' ' LYS . 64.8 mt -59.64 -48.9 79.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.754 ' HG3' HD11 ' A' ' 21' ' ' LEU . 4.4 tm-20 -56.28 -41.06 75.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -80.87 -15.94 54.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -22.49 31.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.5 -4.87 3.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG3' HD22 ' A' ' 71' ' ' LEU . 39.5 mmtm -80.15 0.89 30.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HG ' HD13 ' A' ' 81' ' ' LEU . 1.4 tp -50.73 -40.9 55.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -54.18 -50.16 67.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -64.88 -48.99 72.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 84' ' ' VAL . 2.3 mm? -54.67 -36.79 64.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.507 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -71.62 -50.67 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -60.49 -25.23 65.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.81 -52.54 6.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 80' ' ' LEU . 20.3 m -66.74 -20.41 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.4 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.409 0.449 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 134.4 27.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.302 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -105.01 134.83 12.22 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.3 p -111.13 104.38 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt -140.18 135.3 32.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.41 177.69 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.28 146.42 38.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.693 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -104.61 137.59 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -132.25 150.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.703 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -130.8 115.56 16.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 8' ' ' THR . 97.7 m-85 -94.28 107.71 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -179.31 -179.15 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.5 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 11.5 ptm180 -87.68 158.31 51.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.8 -8.27 23.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -103.68 56.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 4.7 p -114.85 99.54 52.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.1 Cg_endo -69.76 -7.41 20.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -101.76 -41.6 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -55.64 -22.7 24.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -48.8 -32.48 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -41.52 88.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.16 -54.88 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -59.26 -32.45 70.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.53 -42.49 67.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -61.89 -49.36 76.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 21' ' ' LEU . 1.1 mt -64.77 -56.47 13.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -52.15 -36.93 52.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -77.82 -28.25 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -31.46 67.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.43 1.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG11 HG23 ' A' ' 84' ' ' VAL . 1.6 m -132.32 173.61 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 104.24 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CD1' HD21 ' A' ' 6' ' ' LEU . 37.9 p90 -92.14 144.57 25.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -102.47 113.45 26.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -84.49 113.37 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.579 HD12 ' CE ' ' A' ' 42' ' ' MET . 26.6 mm -96.22 120.36 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.3 143.58 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -61.0 -17.62 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.5 m -49.13 110.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.7 p -64.7 -24.43 67.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.7 m -49.19 -31.89 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.39 -35.08 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.49 ' O ' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.9 -36.52 77.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.445 ' HA ' HG12 ' A' ' 43' ' ' VAL . 38.2 tt0 -67.4 -37.51 83.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.44 -36.04 68.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.579 ' CE ' HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -75.82 -46.53 30.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 39' ' ' ARG . 10.5 p -64.37 -38.72 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' N ' HG13 ' A' ' 43' ' ' VAL . 3.7 pp0? -75.35 -35.4 61.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -79.31 -17.33 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.33 -40.79 10.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.59 -47.6 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.72 -29.07 2.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -177.72 98.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -143.69 149.69 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.632 HG23 ' CD2' ' A' ' 52' ' ' PHE . 11.6 t -141.59 31.93 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CD2' HG23 ' A' ' 51' ' ' THR . 58.2 m-85 -151.05 154.13 33.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.496 ' HB2' HG23 ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.78 144.64 54.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -174.64 177.26 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.601 HD13 ' O ' ' A' ' 64' ' ' GLY . 4.9 mp -102.08 128.68 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.12 145.96 33.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.433 HD13 HD13 ' A' ' 80' ' ' LEU . 67.1 mt -134.13 91.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.92 -98.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -115.54 29.67 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -149.06 119.84 7.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -93.45 119.47 32.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.69 -75.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.77 -58.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.601 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -120.43 173.5 15.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.47 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.0 m -73.01 -66.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.18 -26.17 26.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.71 -47.26 67.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.86 -37.6 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HA ' ' HG2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -66.8 -51.21 58.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.15 -38.84 80.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.762 HD22 ' HG2' ' A' ' 76' ' ' LYS . 14.6 mt -64.66 -55.83 17.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.566 ' OE1' HD11 ' A' ' 21' ' ' LEU . 13.3 pt-20 -57.13 -27.99 62.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -86.24 -23.39 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.46 -21.64 35.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.09 0.54 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.762 ' HG2' HD22 ' A' ' 71' ' ' LEU . 9.7 mptt -86.77 9.68 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.79 -42.83 98.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -51.09 -44.87 61.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -71.3 -45.31 63.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.658 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.6 mm? -55.08 -52.71 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 81' ' ' LEU . 5.2 mt -65.22 -51.45 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -56.87 -23.92 47.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -88.12 -64.69 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.693 HG12 ' HB ' ' A' ' 4' ' ' ILE . 29.5 m -51.51 -29.19 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 121.404 0.447 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -174.29 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 155.77 71.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.2 m -170.67 179.99 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtm -130.29 121.77 26.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -137.09 178.22 7.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -137.89 146.99 44.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.709 HG21 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -108.09 137.26 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.42 144.17 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.564 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -119.01 118.34 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.531 ' CE1' HG21 ' A' ' 32' ' ' ILE . 93.4 m-85 -100.06 108.18 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -177.41 -179.8 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.515 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 10.8 ptt-85 -88.27 155.54 51.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.19 14.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.52 16.62 9.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 12.8 p -80.03 114.12 43.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.1 Cg_endo -69.75 -14.52 36.23 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -80.12 -36.21 35.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 m -60.74 -24.86 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -40.94 42.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -64.57 -53.23 51.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -54.73 43.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 22' ' ' LEU . 4.7 ptt85 -58.42 -33.93 70.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -64.61 -48.61 74.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.635 HD11 ' OE1' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -61.9 -50.01 73.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.709 HD22 HG21 ' A' ' 4' ' ' ILE . 2.1 mt -62.25 -57.0 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.72 -30.91 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -75.05 -36.13 61.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.766 ' HE3' HD11 ' A' ' 81' ' ' LEU . 3.1 mmtt -71.57 -31.8 67.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.41 45.09 1.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.85 168.83 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -107.91 108.0 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CD1' HD21 ' A' ' 6' ' ' LEU . 41.5 p90 -96.79 145.39 25.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.3 m -108.01 121.34 44.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -86.87 128.01 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.531 HG21 ' CE1' ' A' ' 7' ' ' TYR . 25.3 mm -113.77 121.29 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -54.29 142.14 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -61.13 -18.26 57.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 m -50.81 108.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.725 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 30.7 p -54.28 -25.93 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -50.72 -30.84 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mp -122.81 -29.46 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.725 ' CZ ' HG22 ' A' ' 36' ' ' THR . 5.8 tmm_? -71.16 -39.07 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.92 -46.33 75.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -70.11 -31.59 69.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.483 ' SD ' HD12 ' A' ' 32' ' ' ILE . 5.2 mtt -75.37 -51.48 13.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 39' ' ' ARG . 7.4 p -62.75 -36.15 74.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -75.63 -36.39 60.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.1 tpt85 -80.84 -13.43 58.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.74 -41.15 8.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.71 -40.07 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.71 -46.41 0.86 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -169.77 101.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -153.83 151.11 29.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -141.26 48.41 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -151.53 151.76 29.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.748 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.8 66.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' NE2' ' CD2' ' A' ' 7' ' ' TYR . 2.4 pp0? -178.75 177.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.601 HD13 ' O ' ' A' ' 64' ' ' GLY . 4.5 mp -100.77 118.1 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.401 ' HD2' HE22 ' A' ' 54' ' ' GLN . 0.2 OUTLIER -95.81 138.83 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.495 HG12 HG23 ' A' ' 62' ' ' VAL . 7.9 pt -145.7 122.02 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 50.41 44.0 44.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 65.35 28.21 11.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -137.39 109.72 7.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -66.86 142.85 57.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.495 HG23 HG12 ' A' ' 57' ' ' ILE . 93.9 t -105.4 -69.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.04 -82.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.601 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -103.13 171.2 20.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.52 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.3 t -72.39 -61.06 1.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -54.36 -25.68 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.09 -47.68 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.1 pp -59.74 -38.32 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.487 ' CE1' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -67.65 -53.53 27.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.87 -46.69 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.78 HD22 ' HG2' ' A' ' 76' ' ' LYS . 11.9 mt -60.84 -50.08 74.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.635 ' OE1' HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -56.78 -30.86 64.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -85.16 -25.72 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -77.98 -22.04 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.72 -0.8 5.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.78 ' HG2' HD22 ' A' ' 71' ' ' LEU . 3.7 mptt -85.55 6.86 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.679 ' HG ' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -56.51 -39.37 73.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -53.97 -50.12 67.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -65.44 -50.94 63.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' CD1' HD13 ' A' ' 57' ' ' ILE . 3.1 mm? -54.69 -42.09 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.766 HD11 ' HE3' ' A' ' 25' ' ' LYS . 2.3 mm? -65.51 -47.18 76.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -67.33 -21.88 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -83.21 -37.42 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG12 ' HB ' ' A' ' 4' ' ' ILE . 33.2 m -82.71 -26.99 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 121.41 0.45 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 107.2 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 177.69 131.29 1.5 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 89.2 p -139.03 168.66 19.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ptp -132.76 132.48 42.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -121.04 178.17 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.72 146.95 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.648 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -111.21 137.87 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.0 mt -131.45 126.19 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' A' ' 29' ' ' TYR . 2.0 pp -106.47 127.62 53.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.522 ' CE1' HG21 ' A' ' 32' ' ' ILE . 94.6 m-85 -104.39 114.76 29.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.12 -178.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.512 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -85.87 158.21 56.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.76 -5.3 15.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -121.55 60.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.6 p -119.97 108.39 38.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.642 0.734 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.95 22.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -88.11 -34.76 17.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.0 m -55.34 -24.42 29.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -48.78 -38.33 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -53.83 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.02 -54.16 50.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -59.01 -34.01 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.72 -49.02 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.613 HD11 ' OE1' ' A' ' 72' ' ' GLU . 4.5 tt -61.78 -53.48 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.64 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -52.73 -57.7 9.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.38 -39.49 83.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -55.6 -41.65 73.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HE2' HD21 ' A' ' 81' ' ' LEU . 24.4 mmtm -77.2 -31.96 55.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.76 59.51 0.78 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 22' ' ' LEU . 2.7 m -132.28 171.45 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -109.17 111.22 22.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.64 ' HB3' HD23 ' A' ' 22' ' ' LEU . 35.4 p90 -101.15 144.8 29.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.496 ' HB ' HG23 ' A' ' 5' ' ' ILE . 92.3 m -102.6 116.46 32.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.5 115.38 23.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.522 HG21 ' CE1' ' A' ' 7' ' ' TYR . 23.3 mm -99.84 120.33 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.38 142.34 13.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.512 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -63.18 -16.89 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -51.4 103.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.593 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 47.0 p -53.16 -28.16 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 t -50.2 -31.28 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 mt -118.66 -37.43 3.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.593 ' CZ ' HG22 ' A' ' 36' ' ' THR . 7.0 tmm_? -62.49 -49.46 75.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -53.2 -39.74 63.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.45 -49.84 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -51.47 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.13 -35.77 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -59.98 -50.27 74.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -13.18 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.6 55.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.59 -38.54 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 140.67 -38.69 1.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -167.58 103.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -163.32 153.34 15.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 t -149.7 55.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -151.44 154.06 33.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 146.01 59.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.412 ' NE2' ' CD2' ' A' ' 7' ' ' TYR . 2.0 pp0? -178.65 177.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 64' ' ' GLY . 5.1 mp -102.28 113.92 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.93 137.53 33.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.648 HG22 ' CG1' ' A' ' 4' ' ' ILE . 13.9 pt -140.87 121.16 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.17 44.25 26.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.18 31.81 6.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' ILE . 43.7 t80 -140.45 105.16 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -64.4 142.55 58.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.464 HG12 ' HB3' ' A' ' 67' ' ' ASP . 86.3 t -106.77 -68.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.431 ' O ' HD12 ' A' ' 55' ' ' ILE . . . 152.68 -111.34 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.55 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -87.19 173.73 44.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.512 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.5 p -66.12 -38.74 88.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -75.1 -26.29 59.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.464 ' HB3' HG12 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -52.87 -55.22 24.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.5 pp -55.85 -38.69 70.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -52.81 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.93 -52.85 56.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.88 -47.68 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.613 ' OE1' HD11 ' A' ' 21' ' ' LEU . 35.8 tt0 -56.43 -35.41 67.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.66 -23.14 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -78.41 -22.3 47.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.58 -2.2 3.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -83.08 3.41 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.562 ' HG ' HD23 ' A' ' 81' ' ' LEU . 1.1 tt -54.74 -43.82 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -44.06 68.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -69.28 -52.83 23.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.32 -52.51 61.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD21 ' HE2' ' A' ' 25' ' ' LYS . 3.6 mm? -59.25 -54.53 45.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -58.75 -22.57 58.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -81.32 -68.6 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.498 HG12 ' HB ' ' A' ' 4' ' ' ILE . 33.0 m -50.72 -30.58 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 121.437 0.465 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 124.13 10.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.304 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -170.17 130.32 1.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.34 108.86 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mtm -150.61 150.79 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -134.35 177.86 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -134.51 146.78 50.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -105.45 138.21 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.475 HG23 ' HB ' ' A' ' 30' ' ' THR . 3.9 mt -131.19 134.45 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.488 HD21 ' CD1' ' A' ' 29' ' ' TYR . 1.7 pp -114.74 120.87 41.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 8' ' ' THR . 95.1 m-85 -97.8 107.59 20.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.81 -178.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 2.9 ptp85 -86.23 158.49 55.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.79 -6.12 17.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -121.02 61.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 p -118.78 109.35 39.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.643 0.735 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.15 20.32 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -94.91 -59.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 p -53.57 -23.33 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -48.33 -32.5 7.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -66.87 -43.17 84.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -67.16 -54.89 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.477 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -58.49 -32.09 68.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -70.7 -43.83 68.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.28 -49.47 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 19' ' ' ARG . 1.5 mt -62.77 -56.08 20.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.9 -38.12 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -77.76 -26.2 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -32.44 68.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.82 34.54 3.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.543 HG11 HG23 ' A' ' 84' ' ' VAL . 1.3 m -120.57 172.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -107.75 115.97 31.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.488 ' CD1' HD21 ' A' ' 6' ' ' LEU . 47.5 p90 -110.25 142.88 41.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.475 ' HB ' HG23 ' A' ' 5' ' ' ILE . 92.0 m -101.49 116.0 31.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.42 112.49 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.1 mm -98.14 118.21 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -54.09 143.05 23.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.09 -15.83 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -50.14 103.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -53.8 -25.88 21.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.509 ' O ' HD22 ' A' ' 38' ' ' LEU . 2.7 t -49.47 -31.68 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 37' ' ' SER . 4.3 mm? -124.6 -35.46 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 43' ' ' VAL . 12.4 ttp180 -60.21 -34.87 74.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.73 -40.16 91.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.21 -37.34 72.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.12 -50.47 22.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 39' ' ' ARG . 9.7 p -60.85 -38.4 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -75.36 -33.97 61.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -79.0 -17.02 56.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.47 -41.09 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.96 -45.08 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.07 -6.81 3.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -173.43 155.45 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -63.85 149.94 45.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.78 -178.23 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.418 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 13.8 p90 -59.96 157.47 30.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.0 Cg_endo -69.76 157.69 59.52 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -176.04 -179.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.497 HD13 ' C ' ' A' ' 64' ' ' GLY . 5.2 mp -94.65 112.82 27.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.25 143.7 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.431 HD11 ' HD2' ' A' ' 60' ' ' TYR . 1.7 pp -138.8 119.83 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 51.52 -102.16 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.3 40.76 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.431 ' HD2' HD11 ' A' ' 57' ' ' ILE . 41.4 t80 -154.22 147.66 25.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -105.64 111.06 23.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.94 -74.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.44 -81.18 0.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.497 ' C ' HD13 ' A' ' 55' ' ' ILE . . . -109.11 160.4 13.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.8 p -62.28 -37.1 84.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -74.62 -26.69 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -55.09 -55.55 29.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.447 HD21 ' CB ' ' A' ' 18' ' ' ALA . 2.1 pp -57.76 -37.12 73.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.401 ' HA ' ' HG2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -63.62 -51.43 65.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.28 88.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 68' ' ' LEU . 20.1 mt -61.89 -56.32 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HG2' ' HA ' ' A' ' 69' ' ' TYR . 9.8 pt-20 -57.43 -26.65 61.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -86.08 -24.81 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.55 -22.22 41.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.84 -0.64 4.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -85.83 8.86 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.639 ' HG ' HD23 ' A' ' 81' ' ' LEU . 1.4 tt -57.51 -37.89 73.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.63 -44.92 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -72.96 -49.37 29.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.2 mm? -54.69 -40.6 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.639 HD23 ' HG ' ' A' ' 77' ' ' LEU . 3.3 mm? -74.3 -45.23 48.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -61.15 -24.78 66.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.5 -59.69 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 80' ' ' LEU . 33.9 m -56.55 -25.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.7 t60 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 121.472 0.484 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 105.1 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 106.39 93.48 2.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 38.2 t -139.69 117.47 11.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.8 mtm -112.9 154.0 27.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 177.88 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -132.64 146.26 51.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.621 HG13 HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -115.33 137.73 47.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.51 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.5 mt -129.59 149.02 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -125.81 114.42 18.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.491 ' CD2' HG21 ' A' ' 32' ' ' ILE . 91.9 m-85 -96.78 113.34 24.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.491 HG21 ' SG ' ' A' ' 15' ' ' CYS . 13.6 t -176.1 179.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.45 157.12 53.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 110.838 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.75 -16.34 37.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -94.77 36.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -106.87 94.4 10.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.59 26.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -72.93 -9.65 58.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' SG ' HG21 ' A' ' 8' ' ' THR . 66.7 m -75.4 -21.81 57.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -47.24 -38.43 12.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -62.68 -47.5 83.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -57.64 12.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -53.63 -34.79 59.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -67.3 -41.93 84.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 72' ' ' GLU . 9.9 tt -61.03 -51.39 69.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 29' ' ' TYR . 10.5 mt -61.67 -55.65 28.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.5 -39.81 70.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -62.36 -40.18 95.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HE2' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -71.1 -32.54 69.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.54 50.42 1.84 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG11 HG23 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -126.18 176.49 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.934 0.397 . . . . 0.0 111.129 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -108.54 117.63 34.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CD1' HD21 ' A' ' 6' ' ' LEU . 35.8 p90 -112.19 148.12 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.9 m -114.34 121.5 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -85.72 130.41 34.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 7' ' ' TYR . 30.0 mm -116.08 121.02 66.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -52.06 142.95 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.558 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -61.45 -17.65 55.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -50.5 106.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.699 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 22.1 p -58.92 -25.25 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.41 ' O ' HD22 ' A' ' 38' ' ' LEU . 65.4 p -50.13 -31.52 13.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.41 HD22 ' O ' ' A' ' 37' ' ' SER . 4.2 mm? -122.52 -34.33 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.699 ' CZ ' HG22 ' A' ' 36' ' ' THR . 6.3 tmm_? -62.74 -42.8 99.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.31 -42.12 90.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.22 -45.4 76.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -51.28 65.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.59 -30.3 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.28 -46.15 57.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -79.13 -13.58 59.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.7 -40.75 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.97 -48.15 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.96 -40.24 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.5 ttm-85 -165.55 88.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -148.57 145.98 28.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 t -143.37 48.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -151.45 152.72 31.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.666 0.746 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.02 36.97 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.729 2.286 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.21 177.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.72 132.25 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.82 143.07 45.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.617 ' CD1' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -139.07 107.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.66 -91.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -132.99 23.4 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -132.86 138.6 47.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -110.12 117.46 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.617 HG23 ' CD1' ' A' ' 57' ' ' ILE . 69.8 t -60.92 -75.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.95 -47.29 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -133.71 159.82 23.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.3 m -70.94 -53.82 13.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -55.68 -25.22 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -46.83 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.462 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -69.73 -36.51 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' CD1' HD11 ' A' ' 68' ' ' LEU . 18.6 m-85 -70.62 -53.55 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.43 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.6 mt -56.57 -48.27 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.731 ' HG3' HD11 ' A' ' 21' ' ' LEU . 6.8 tm-20 -56.26 -40.21 73.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -79.44 -19.5 49.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -81.61 -22.48 37.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.23 -7.46 2.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -73.06 -5.93 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.11 -42.75 29.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.28 -50.49 69.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 t -63.41 -50.8 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.3 mm? -54.8 -34.29 62.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.453 HD11 ' HE2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -70.8 -53.11 16.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -60.59 -24.99 65.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -81.19 -59.33 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.621 HG12 HG13 ' A' ' 4' ' ' ILE . 22.7 m -62.13 -23.48 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 121.431 0.461 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.73 5.28 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.656 2.238 . . . . 0.0 112.37 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -162.19 177.94 38.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.99 147.27 43.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 ptm -120.5 25.96 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.22 121.6 40.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -142.93 147.35 35.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.708 HD12 HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -107.78 137.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.604 ' N ' HD13 ' A' ' 4' ' ' ILE . 5.6 mt -133.36 144.09 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -118.67 114.44 22.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 32' ' ' ILE . 94.7 m-85 -101.82 107.47 18.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.455 ' C ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -177.2 -178.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.582 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 12.3 ptm180 -86.6 156.78 55.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.617 0.723 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -6.79 19.43 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.709 2.272 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -96.94 48.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 p -117.11 97.61 50.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -7.28 20.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -95.36 -20.89 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.3 m -53.89 -25.86 22.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -50.21 -33.01 17.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -49.54 60.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -54.91 38.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -36.42 75.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.92 -48.93 76.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.92 -53.21 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -53.25 -57.75 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.89 -37.02 75.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.52 -41.6 85.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.635 ' HE3' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -76.59 -32.25 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.01 53.59 1.17 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.613 HG11 HG23 ' A' ' 84' ' ' VAL . 1.1 m -125.57 177.95 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 114.19 27.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.712 ' HB3' HD23 ' A' ' 22' ' ' LEU . 40.9 p90 -104.58 144.91 31.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -109.45 119.39 39.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -84.95 134.96 34.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' A' ' 7' ' ' TYR . 22.3 mm -124.19 120.79 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -56.6 143.04 37.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.582 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -62.8 -16.1 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.6 t -49.8 106.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -56.22 -24.96 45.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' HD22 ' A' ' 38' ' ' LEU . 7.4 t -49.86 -31.51 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 37' ' ' SER . 4.4 mm? -124.43 -34.57 2.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 43' ' ' VAL . 18.4 ttp85 -62.2 -36.23 81.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.666 ' OE1' HG23 ' A' ' 51' ' ' THR . 4.6 tp60 -66.53 -37.48 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -70.4 -48.7 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -51.48 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 39' ' ' ARG . 10.6 p -62.84 -36.34 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.03 -51.3 69.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -79.0 -13.09 60.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.12 -41.09 43.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.29 -45.96 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.96 -57.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.545 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -152.68 116.36 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' HB2' HG22 ' A' ' 43' ' ' VAL . 1.2 m120 -153.46 160.69 42.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.666 HG23 ' OE1' ' A' ' 40' ' ' GLN . 4.0 m -154.34 36.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -147.11 144.26 19.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.53 54.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.374 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -176.76 179.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 64' ' ' GLY . 26.6 mt -96.29 142.87 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.97 139.7 53.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.597 HG22 HG12 ' A' ' 4' ' ' ILE . 9.5 pt -142.56 122.78 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.0 44.82 19.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 66.56 33.67 6.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -144.12 106.14 4.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -65.61 142.7 57.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.421 HG23 HG12 ' A' ' 57' ' ' ILE . 59.9 t -104.34 -56.78 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.98 -110.57 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.598 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -84.74 -177.55 51.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.428 ' HA ' HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -73.42 -61.72 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.26 -26.25 27.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -52.97 -55.25 24.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 55' ' ' ILE . 1.7 pp -56.78 -36.04 69.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -53.01 28.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.77 -52.8 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.14 -47.4 85.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -33.82 66.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.53 -20.28 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -80.44 -22.12 41.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.72 -3.14 3.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -80.94 1.97 28.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.577 ' HG ' HD13 ' A' ' 81' ' ' LEU . 2.1 tt -50.09 -44.34 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -52.93 -43.7 66.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.2 t -68.51 -52.23 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 84' ' ' VAL . 3.6 mm? -54.61 -51.45 65.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.635 HD21 ' HE3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -63.13 -41.22 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -67.49 -23.52 65.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -87.71 -44.44 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.634 HG12 ' HB ' ' A' ' 4' ' ' ILE . 15.0 m -74.47 -23.64 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 121.39 0.439 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -175.95 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.65 2.234 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -127.66 -144.59 5.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.548 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.0 t -151.4 155.93 39.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.833 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtp -133.41 95.38 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -144.48 178.29 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -141.41 147.22 37.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.422 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -119.13 136.78 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.5 mt -134.5 150.98 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.41 114.82 20.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.507 ' CD1' HG21 ' A' ' 32' ' ' ILE . 96.6 m-85 -99.34 109.14 21.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.517 HG23 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -174.96 -179.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.202 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 4.9 ptp180 -88.86 155.77 49.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.0 22.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.232 . . . . 0.0 112.359 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 63.56 19.33 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.1 p -82.59 120.13 76.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -44.13 2.23 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -52.69 -35.61 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -55.79 -25.2 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -49.48 -41.67 41.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.81 -53.93 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.741 ' O ' HD22 ' A' ' 22' ' ' LEU . . . -59.24 -57.53 12.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -52.92 -35.47 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -70.03 -37.62 75.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.603 HD11 ' CD ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -63.43 -53.93 44.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.741 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -64.78 -45.53 85.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.68 -32.24 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -76.24 -36.47 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -71.49 -32.44 68.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.4 49.1 2.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.459 HG21 ' HB ' ' A' ' 84' ' ' VAL . 1.0 OUTLIER -126.98 175.33 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.08 108.76 19.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.522 ' HB2' HD21 ' A' ' 6' ' ' LEU . 32.6 p90 -101.67 145.71 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 66.6 m -105.26 128.37 53.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.4 138.1 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.507 HG21 ' CD1' ' A' ' 7' ' ' TYR . 24.0 mm -125.48 122.4 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -59.31 142.79 51.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -62.53 -16.94 58.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m -50.13 105.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -52.44 -27.46 16.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m -49.7 -31.68 11.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.2 mt -121.89 -33.7 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -63.84 -45.75 88.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -58.29 -40.69 82.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.84 -47.6 68.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -61.75 -52.28 64.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 50' ' ' ASN . 9.9 p -61.96 -33.92 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.38 -51.51 62.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -78.69 -10.65 59.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.44 -41.89 21.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 1.9 p-10 -130.58 -38.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.44 -47.26 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.496 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 11.8 ptm180 -170.76 161.4 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.429 ' HB3' HG11 ' A' ' 43' ' ' VAL . 5.0 t-20 -176.21 156.9 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 p -139.23 17.4 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -151.41 152.85 31.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.679 0.752 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.517 ' HB2' HG23 ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.73 154.55 67.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -174.65 178.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 mp -101.64 134.41 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.68 137.59 47.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.716 HD12 ' OD2' ' A' ' 83' ' ' ASP . 1.4 pp -149.12 129.26 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.16 56.6 6.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 49.28 34.11 5.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -140.85 112.73 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -73.55 123.1 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.7 t -86.9 -75.1 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.23 -105.07 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.3 163.1 37.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.81 -55.18 32.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.338 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.12 -26.25 37.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -52.61 -55.45 22.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.537 ' CD1' HD13 ' A' ' 21' ' ' LEU . 1.8 pp -56.2 -36.06 67.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -52.97 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.42 -51.75 61.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.51 -48.84 80.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.603 ' CD ' HD11 ' A' ' 21' ' ' LEU . 32.9 tt0 -56.74 -32.68 65.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -85.85 -21.89 27.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -22.0 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.92 -1.95 4.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.438 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.66 6.99 25.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HG ' HD13 ' A' ' 81' ' ' LEU . 1.4 tt -53.45 -43.03 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -53.46 -49.87 66.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.2 t -62.75 -50.97 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.14 -47.88 74.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.52 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -62.66 -38.76 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.07 -23.98 60.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.716 ' OD2' HD12 ' A' ' 57' ' ' ILE . 1.2 m-20 -83.89 -30.98 25.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.459 ' HB ' HG21 ' A' ' 27' ' ' VAL . 29.1 m -88.54 -25.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 121.394 0.441 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 176.62 6.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -157.98 160.98 31.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.6 t -136.19 112.11 9.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ptp -171.8 152.16 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -93.94 178.16 5.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.37 146.76 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.682 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -104.52 137.24 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' N ' HD13 ' A' ' 4' ' ' ILE . 3.5 mt -131.43 123.62 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 6' ' ' LEU . 2.3 pp -103.5 122.78 45.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.569 ' CE2' HG23 ' A' ' 43' ' ' VAL . 95.6 m-85 -100.56 114.92 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.48 -178.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.509 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -86.49 161.71 47.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.858 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -7.11 20.21 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.703 2.269 . . . . 0.0 112.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -98.88 47.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -107.66 90.53 6.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.37 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -63.71 -27.01 68.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -53.63 -22.67 9.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -46.99 -33.88 5.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.16 -48.55 81.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -54.16 35.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -59.12 -31.21 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.82 -48.32 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.33 -45.38 91.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -62.69 -58.14 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -56.75 -38.6 72.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -66.31 -35.94 81.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -71.38 -31.84 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.61 44.85 1.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.84 168.96 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.98 104.57 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.429 ' HB3' HD23 ' A' ' 22' ' ' LEU . 32.3 p90 -95.63 142.26 28.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.442 ' HB ' HG23 ' A' ' 5' ' ' ILE . 52.2 m -107.02 124.47 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -91.29 112.12 23.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD12 ' HE2' ' A' ' 42' ' ' MET . 46.0 mm -95.04 117.57 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.01 143.68 54.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.23 -24.2 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -48.26 116.38 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.5 p -62.71 -23.29 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.567 ' C ' HD22 ' A' ' 38' ' ' LEU . 1.6 p -51.02 -31.87 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD22 ' C ' ' A' ' 37' ' ' SER . 4.4 mm? -123.98 -26.1 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -74.6 -43.02 57.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.45 -47.48 83.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -48.16 70.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.5 ' HE2' HD12 ' A' ' 32' ' ' ILE . 5.4 tpp -61.35 -50.15 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 7' ' ' TYR . 3.8 t -57.36 -49.68 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -53.99 -46.94 71.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -78.79 -10.41 59.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.92 -41.96 22.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -118.14 -43.57 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.37 -16.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -159.24 161.13 35.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -78.44 157.26 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 t -175.79 -171.48 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 11.3 p90 -59.94 157.67 29.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.1 Cg_endo -69.7 154.2 68.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -175.76 -178.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.442 HD13 ' C ' ' A' ' 64' ' ' GLY . 5.2 mp -94.54 112.76 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.16 141.25 28.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.682 HG22 ' CG1' ' A' ' 4' ' ' ILE . 1.1 pp -139.49 115.19 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.15 -98.04 0.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -128.95 29.95 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.833 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.442 ' HD2' HD11 ' A' ' 57' ' ' ILE . 52.2 t80 -142.69 147.22 35.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -107.34 106.11 16.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.7 t -53.79 -74.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.4 -55.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' C ' HD13 ' A' ' 55' ' ' ILE . . . -123.06 148.98 16.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -67.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -54.34 -26.35 29.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -52.61 -41.97 64.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.55 -36.78 84.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -52.9 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.12 -52.37 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.7 mt -59.46 -46.57 88.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.65 -42.67 75.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -80.82 -16.66 53.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.15 -22.33 36.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.26 -5.72 3.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.46 3.33 28.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.665 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -51.11 -43.13 61.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -45.15 69.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.8 t -68.52 -50.62 50.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.71 -52.32 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.665 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -60.81 -49.46 77.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -61.1 -24.31 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.531 ' CG ' HD12 ' A' ' 57' ' ' ILE . 2.9 m-20 -84.41 -63.46 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.4 m -52.84 -32.66 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 121.452 0.473 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 165.92 29.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.228 . . . . 0.0 112.414 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -109.18 17.02 32.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 7.6 t -98.66 100.16 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.826 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.2 mtp -126.81 60.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -64.72 172.68 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.0 146.24 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.548 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -109.5 138.19 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 mt -132.95 151.92 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -130.41 114.21 15.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 8' ' ' THR . 96.4 m-85 -93.89 116.81 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -177.91 178.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -88.33 155.67 51.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.86 26.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.27 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 63.78 18.76 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.6 119.36 76.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -44.87 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.27 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -52.32 -34.89 49.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.6 m -54.78 -25.7 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -50.04 -36.89 30.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -66.09 -53.24 40.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.75 ' O ' HD22 ' A' ' 22' ' ' LEU . . . -62.92 -57.28 11.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -35.49 42.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.62 -40.03 73.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD13 ' CD1' ' A' ' 68' ' ' LEU . 3.3 tt -60.38 -54.01 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -65.09 -44.98 87.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.41 -28.7 69.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -77.54 -40.19 43.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -31.9 68.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.61 54.99 1.03 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -133.18 172.7 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.388 . . . . 0.0 111.121 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -110.97 97.49 6.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.588 ' CD1' HD21 ' A' ' 6' ' ' LEU . 42.4 p90 -88.28 139.71 30.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.3 m -98.53 124.6 43.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.0 125.71 39.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.1 mm -107.4 120.93 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -61.36 143.03 56.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -19.81 36.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 m -48.92 118.41 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.8 p -63.79 -24.08 67.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m -49.7 -31.6 11.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.7 mt -124.22 -35.44 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -61.65 -39.99 93.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -61.51 -40.59 95.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.26 -49.69 63.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -63.02 -52.09 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.14 -31.71 48.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.26 -50.38 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -77.68 -9.75 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.91 -41.17 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.63 -39.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.33 25.91 62.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -118.99 -14.43 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 51.18 89.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 -170.25 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.09 159.97 18.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.685 0.755 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.38 63.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.344 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.08 -179.24 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.3 mp -94.3 120.63 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.96 152.34 18.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.415 HD12 ' OD2' ' A' ' 83' ' ' ASP . 1.1 pt -149.0 104.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.36 -87.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -138.0 20.29 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -131.69 149.12 52.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -110.85 115.35 29.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.0 t -54.98 -73.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.13 -33.62 2.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -155.12 170.08 33.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.529 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 t -68.23 -66.75 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.734 0.302 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -55.07 -26.28 36.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -52.92 -55.17 25.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.61 ' CD1' HD13 ' A' ' 21' ' ' LEU . 1.8 pp -53.81 -36.39 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -52.78 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.67 -51.27 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.89 -46.77 88.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -55.78 -39.79 71.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -81.7 -20.59 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -78.62 -22.44 46.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.97 -2.21 4.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -81.85 1.69 33.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.804 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -51.44 -39.43 57.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.24 -49.39 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.2 t -68.28 -49.01 63.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 84' ' ' VAL . 4.1 mm? -54.42 -42.53 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.804 HD13 ' HG ' ' A' ' 77' ' ' LEU . 4.7 mp -72.28 -41.64 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.42 -26.63 68.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.958 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.415 ' OD2' HD12 ' A' ' 57' ' ' ILE . 28.2 m-20 -83.87 -53.81 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.548 HG12 ' HB ' ' A' ' 4' ' ' ILE . 22.8 m -62.52 -32.2 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 121.434 0.464 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 88.61 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.286 . . . . 0.0 112.371 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -148.58 -112.39 0.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 39.8 m -161.87 120.34 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.384 . . . . 0.0 110.811 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mtp -119.87 133.1 55.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -145.03 177.94 8.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -128.26 147.54 50.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.437 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -105.46 138.09 32.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.437 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.2 mt -133.25 122.03 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.643 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -104.67 128.25 52.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.46 ' CD1' HG21 ' A' ' 32' ' ' ILE . 97.0 m-85 -106.97 107.69 18.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.65 -178.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.464 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.29 156.48 54.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 169.31 19.2 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 66.88 11.23 8.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 p -61.49 111.34 4.18 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.616 0.722 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -41.76 4.04 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.759 2.306 . . . . 0.0 112.318 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -69.54 -43.14 73.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -22.88 51.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . 66.0 mttt -48.73 -32.78 9.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -65.51 -51.25 61.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.22 -54.03 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 11.6 ptp180 -60.17 -34.85 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.95 -48.94 76.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.493 HD11 ' OE1' ' A' ' 72' ' ' GLU . 1.2 tt -61.81 -45.82 92.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -57.44 -58.23 9.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -59.7 -32.03 70.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -67.81 -36.75 80.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -76.12 -32.32 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.02 57.64 0.72 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.549 HG21 ' HB ' ' A' ' 84' ' ' VAL . 1.7 m -135.8 170.42 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -109.22 106.36 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.643 ' CD1' HD21 ' A' ' 6' ' ' LEU . 34.2 p90 -96.77 145.88 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.0 m -105.1 119.59 39.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.0 111.29 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 7' ' ' TYR . 26.6 mm -95.92 121.47 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -55.94 142.41 35.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.464 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.91 -18.21 55.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.3 t -50.97 107.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.1 p -54.3 -25.74 25.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -51.06 -31.4 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mp -121.39 -30.4 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -70.0 -45.73 66.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -58.98 -45.9 89.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -68.32 -41.1 81.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -51.9 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.77 -35.3 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -62.03 -50.85 70.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -78.88 -14.3 59.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.84 -41.57 52.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.22 -47.18 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.5 -54.99 0.53 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -142.1 107.07 4.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -173.82 149.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 t -153.49 55.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -151.32 155.33 34.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.749 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 145.02 56.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.722 2.282 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -178.5 177.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 64' ' ' GLY . 5.1 mp -99.7 110.67 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.4 137.82 33.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 1.014 HD11 HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -146.44 118.25 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.53 44.48 22.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.449 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 t70 71.9 30.12 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 57' ' ' ILE . 85.0 t80 -133.44 111.0 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -85.24 130.58 34.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.014 HG23 HD11 ' A' ' 57' ' ' ILE . 43.3 t -98.47 -73.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.3 -84.04 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -86.45 153.33 26.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.0 p -70.53 -35.1 72.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -73.35 -26.29 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -52.84 -54.02 40.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.2 pp -52.9 -38.15 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.98 -52.64 26.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.43 71.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD23 ' NZ ' ' A' ' 74' ' ' LYS . 96.3 mt -61.44 -48.41 81.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' OE1' HD11 ' A' ' 21' ' ' LEU . 35.3 tt0 -56.12 -35.71 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -85.07 -19.5 31.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.518 ' NZ ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -81.42 -22.12 38.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.62 -2.4 4.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.426 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -89.64 13.01 15.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.69 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.43 -41.0 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -53.47 -47.16 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.8 t -67.64 -50.21 59.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.51 -52.42 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.69 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -61.28 -44.63 96.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.16 -31.49 69.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -76.27 -60.32 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.549 ' HB ' HG21 ' A' ' 27' ' ' VAL . 33.8 m -53.46 -34.08 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 121.475 0.486 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -177.37 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.242 . . . . 0.0 112.356 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 153.15 137.45 2.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 58.7 m -62.09 166.56 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm -96.42 -74.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -104.26 177.7 4.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -130.08 147.66 51.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.628 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -108.65 137.65 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.2 mt -134.16 129.11 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 6' ' ' LEU . 2.6 pp -105.88 121.71 44.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.549 ' CD1' HG21 ' A' ' 32' ' ' ILE . 97.3 m-85 -105.3 112.23 25.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.05 179.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.146 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.82 158.3 50.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.889 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.81 -7.9 22.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -97.72 32.6 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.4 t -107.84 91.68 7.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.09 24.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.8 -14.95 63.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.91 -21.26 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -47.38 -33.77 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -62.28 -54.48 40.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HA ' HD21 ' A' ' 68' ' ' LEU . . . -61.11 -56.91 15.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -53.11 -32.25 46.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.23 -40.23 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.717 HD23 ' CE1' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -62.23 -45.03 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.676 HD13 ' HB3' ' A' ' 29' ' ' TYR . 10.5 mt -68.9 -50.68 47.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.33 -26.96 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -77.28 -40.54 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.764 ' HE3' HD11 ' A' ' 81' ' ' LEU . 5.0 mptp? -71.18 -31.96 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.61 54.88 1.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.438 HG21 ' HB ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -128.96 175.8 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 111.151 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.54 106.62 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.676 ' HB3' HD13 ' A' ' 22' ' ' LEU . 43.4 p90 -100.11 144.32 29.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.401 ' HB ' HG23 ' A' ' 5' ' ' ILE . 52.3 m -103.19 123.51 46.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -87.23 126.67 34.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 7' ' ' TYR . 22.9 mm -116.91 120.17 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.18 143.33 55.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -59.82 -18.35 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -49.11 112.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.8 p -60.85 -24.59 66.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.425 ' C ' HD22 ' A' ' 38' ' ' LEU . 1.1 p -49.37 -31.54 9.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD22 ' C ' ' A' ' 37' ' ' SER . 4.4 mm? -124.22 -36.14 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.544 ' O ' HG12 ' A' ' 43' ' ' VAL . 11.2 ttp180 -61.61 -42.4 98.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.1 -38.0 75.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -70.75 -51.54 26.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -59.03 -51.46 69.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 39' ' ' ARG . 7.7 p -62.4 -35.56 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.19 -50.61 72.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -10.83 59.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.71 -42.53 28.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -114.02 -38.54 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 147.04 -40.98 0.98 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -142.6 147.52 35.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.41 157.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.55 -178.6 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 10.1 p90 -60.14 155.36 45.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.4 Cg_endo -69.69 154.63 67.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 0.0 112.371 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.42 -178.11 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 64' ' ' GLY . 21.6 mt -94.79 115.34 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.36 139.44 31.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.628 HG22 ' CG1' ' A' ' 4' ' ' ILE . 9.8 pt -141.51 121.47 11.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.34 44.72 28.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 66.77 31.51 7.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -141.44 104.9 4.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -63.59 142.96 58.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.525 HG23 HG12 ' A' ' 57' ' ' ILE . 85.9 t -107.04 -66.91 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.01 -82.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.573 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -115.33 -176.18 18.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.1 m -74.96 -56.36 4.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -54.32 -26.53 30.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.18 -54.6 33.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 18' ' ' ALA . 1.4 pp -57.82 -35.37 70.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.717 ' CE1' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -68.24 -53.19 26.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -48.07 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.97 -45.54 88.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -56.61 -36.11 69.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -86.36 -22.26 26.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.45 -22.74 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.27 -2.73 6.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.61 7.0 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.723 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -54.35 -40.01 67.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.409 ' N ' HD23 ' A' ' 77' ' ' LEU . 1.3 m-20 -54.43 -49.89 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.9 t -64.92 -49.44 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.79 -50.22 69.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.764 HD11 ' HE3' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -65.16 -35.8 82.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.09 -27.47 65.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -81.0 -44.84 17.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' A' ' 81' ' ' LEU . 32.7 m -73.22 -28.27 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 121.458 0.477 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 88.03 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 156.11 147.67 4.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.46 167.73 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm -68.38 89.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.68 149.02 29.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -142.16 146.31 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.675 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -106.42 137.37 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.658 HG23 ' HB ' ' A' ' 30' ' ' THR . 5.3 mt -133.2 118.65 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 29' ' ' TYR . 2.5 pp -99.4 124.17 44.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 8' ' ' THR . 85.3 m-85 -99.57 106.23 18.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 177.35 -179.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.161 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.787 ' HD2' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -113.66 158.16 39.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.913 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.74 -2.58 10.4 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.62 2.213 . . . . 0.0 112.377 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -71.92 -54.48 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 p -58.89 120.42 46.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.615 0.721 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -38.81 7.22 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -38.06 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.9 m -53.73 -26.09 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . 18.7 mttm -52.22 -32.75 38.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -63.68 -52.44 60.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.701 ' O ' HD22 ' A' ' 22' ' ' LEU . . . -58.79 -57.72 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 14.4 ptp180 -54.34 -36.08 63.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.49 -37.2 79.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.686 HD11 ' OE1' ' A' ' 72' ' ' GLU . 4.8 tt -61.59 -54.42 43.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -61.43 -48.14 82.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.11 -27.02 69.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -41.58 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.647 ' HE2' HD13 ' A' ' 81' ' ' LEU . 25.0 mmmt -71.04 -32.01 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.34 54.79 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.48 170.92 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 92.69 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' HD21 ' A' ' 6' ' ' LEU . 28.5 p90 -85.22 143.85 28.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.658 ' HB ' HG23 ' A' ' 5' ' ' ILE . 85.9 m -98.3 111.12 23.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.48 112.0 19.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mm -94.85 123.39 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.88 143.54 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.787 ' HB2' ' HD2' ' A' ' 9' ' ' ARG . . . -52.98 -23.11 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 m -48.82 104.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.6 p -57.56 -23.58 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' HD22 ' A' ' 38' ' ' LEU . 5.5 p -49.93 -31.63 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 37' ' ' SER . 4.1 mm? -123.32 -33.57 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -42.62 91.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -63.6 -43.3 97.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.42 -42.09 88.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.2 tpp -68.43 -51.57 42.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.77 -30.42 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -74.31 -45.97 44.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -78.5 -10.9 59.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.26 -40.82 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.35 -46.95 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.54 -35.64 2.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -177.13 89.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -120.0 157.35 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.0 t -147.59 27.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -151.74 147.4 20.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.03 55.76 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.68 177.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.7 mp -97.42 116.8 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.12 144.1 26.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.564 HG22 HG12 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -142.68 110.75 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.6 -92.4 0.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -134.25 24.06 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.333 . . . . 0.0 110.836 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.404 ' HD2' HD11 ' A' ' 57' ' ' ILE . 55.9 t80 -136.33 147.27 47.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -108.94 110.68 22.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.2 t -51.34 -74.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.93 -49.67 0.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -149.22 167.74 29.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.7 p -63.78 -38.88 92.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.74 -26.38 57.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -59.85 -55.56 32.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.636 ' CD1' HD13 ' A' ' 21' ' ' LEU . 2.1 pp -54.67 -38.33 66.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.536 ' CE1' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -66.96 -53.41 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.67 -48.33 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.75 HD22 ' HG2' ' A' ' 76' ' ' LYS . 10.6 mt -59.36 -49.37 78.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.686 ' OE1' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -56.93 -32.01 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -83.82 -25.0 30.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -78.72 -22.28 46.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.22 -0.43 4.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.75 ' HG2' HD22 ' A' ' 71' ' ' LEU . 4.3 mptp? -85.26 6.25 26.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.04 -46.77 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -50.58 -41.77 54.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -70.61 -47.91 57.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.02 -52.55 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.647 HD13 ' HE2' ' A' ' 25' ' ' LYS . 6.0 mt -63.28 -43.3 98.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -58.5 -34.23 70.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -75.93 -62.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.675 HG12 ' HB ' ' A' ' 4' ' ' ILE . 32.7 m -53.15 -32.51 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 121.496 0.498 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -172.58 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.362 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -146.57 -135.18 2.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 9.5 m -109.49 80.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtm -142.11 132.02 24.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -67.91 178.0 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -131.41 145.87 52.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.622 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -115.3 137.27 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.543 HG23 ' HB ' ' A' ' 30' ' ' THR . 4.6 mt -132.31 123.88 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.642 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -100.93 127.36 47.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.536 ' CE1' HG21 ' A' ' 32' ' ' ILE . 92.3 m-85 -107.05 112.52 25.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -176.45 -179.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 4.9 ptp180 -90.63 158.23 43.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.638 0.732 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -101.66 33.68 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.7 t -106.96 94.13 10.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.633 0.73 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.34 23.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.389 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -13.09 61.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.1 m -74.06 -22.56 59.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -47.96 -33.64 8.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -64.28 -54.82 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -57.88 -57.5 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -53.76 -36.06 61.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -64.5 -40.34 95.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.608 HD21 ' OE2' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -63.93 -49.37 72.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 29' ' ' TYR . 14.3 mt -58.5 -56.29 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -59.47 -31.77 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -66.02 -41.79 90.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -72.02 -32.38 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.41 52.06 1.09 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -128.23 172.82 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.964 0.411 . . . . 0.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 113.52 27.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.642 ' CD1' HD21 ' A' ' 6' ' ' LEU . 36.9 p90 -105.01 143.81 32.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.543 ' HB ' HG23 ' A' ' 5' ' ' ILE . 61.8 m -104.72 117.33 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.141 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -84.23 119.28 24.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 7' ' ' TYR . 46.4 mm -107.53 119.26 56.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -66.75 143.8 56.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.7 -19.42 26.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -47.25 105.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -53.66 -25.52 18.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.7 m -49.56 -31.69 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.1 mt -123.47 -35.17 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -37.52 79.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.87 -41.71 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -66.83 -45.6 77.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.3 mmt -66.58 -52.24 47.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.32 -32.05 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -70.63 -50.59 35.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -74.16 -10.42 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.35 -40.76 11.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -136.43 -34.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.21 49.85 2.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -175.58 138.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -93.31 134.35 35.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.04 -170.24 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -60.19 160.63 16.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 8' ' ' THR . 53.1 Cg_endo -69.82 142.96 49.09 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.638 2.226 . . . . 0.0 112.363 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -153.78 179.62 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.2 mp -99.86 116.37 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.35 132.65 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.604 HG22 HG12 ' A' ' 4' ' ' ILE . 14.7 pt -138.06 130.21 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.81 51.36 10.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 55.55 34.09 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -142.73 108.65 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -63.62 138.02 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.422 HG21 HD13 ' A' ' 57' ' ' ILE . 94.8 t -105.77 -69.75 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.9 -123.89 1.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -82.63 173.2 52.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.1 m -58.95 -61.79 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.36 -26.41 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -52.79 -55.31 23.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.418 HD21 ' CB ' ' A' ' 18' ' ' ALA . 1.7 pp -56.33 -36.49 68.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CE1' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -66.81 -53.2 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.87 59.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.88 -48.06 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.608 ' OE2' HD21 ' A' ' 21' ' ' LEU . 36.0 tt0 -56.78 -34.14 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -83.27 -22.68 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -79.74 -22.24 43.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.56 -1.06 4.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -85.02 5.12 30.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.4 ' C ' HD23 ' A' ' 77' ' ' LEU . 5.4 tt -51.87 -48.58 63.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.78 -41.82 57.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.8 t -68.43 -48.51 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.514 HD13 ' CD1' ' A' ' 57' ' ' ILE . 3.9 mm? -58.9 -52.87 63.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.467 ' HA ' HG22 ' A' ' 84' ' ' VAL . 6.3 mt -61.08 -39.42 89.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -71.84 -22.67 61.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -86.52 -33.41 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' A' ' 4' ' ' ILE . 32.4 m -87.44 -24.77 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 121.486 0.492 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -178.78 2.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.65 2.234 . . . . 0.0 112.34 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -136.32 -142.98 4.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.9 m -130.24 131.7 45.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.847 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.55 148.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -78.19 178.13 7.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.99 147.01 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.656 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -108.54 137.63 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.5 mt -134.34 150.64 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.479 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.99 114.03 18.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 8' ' ' THR . 94.0 m-85 -95.66 107.38 19.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.73 -178.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -87.1 155.93 54.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.72 . . . . 0.0 110.842 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.77 52.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 7.9 p -123.97 98.47 39.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.663 0.744 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.2 Cg_endo -69.76 -7.32 20.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.5 -20.49 18.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 m -54.76 -25.77 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -50.13 -36.79 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -64.13 -50.58 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.4 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -60.63 -31.08 70.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.57 -49.11 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.534 HD23 ' N ' ' A' ' 22' ' ' LEU . 2.4 tt -61.29 -52.41 64.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 4' ' ' ILE . 2.5 mt -59.21 -56.42 22.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.03 -29.71 60.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -40.63 75.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -70.91 -31.88 68.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.17 54.09 0.86 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.444 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG11 HG23 ' A' ' 84' ' ' VAL . 1.2 m -131.54 166.06 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -105.6 107.58 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.479 ' HB2' HD21 ' A' ' 6' ' ' LEU . 42.4 p90 -94.96 145.67 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.6 m -110.44 120.37 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.86 126.0 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.428 HD12 ' CE ' ' A' ' 42' ' ' MET . 30.5 mm -111.53 117.74 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -53.09 143.54 17.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.56 -17.86 48.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 m -48.74 110.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -63.43 -24.27 67.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.6 p -49.62 -31.48 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 mt -125.32 -35.13 2.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.529 ' O ' HG12 ' A' ' 43' ' ' VAL . 9.7 tmm_? -61.55 -35.74 78.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.55 -41.22 93.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.06 -35.63 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.428 ' CE ' HD12 ' A' ' 32' ' ' ILE . 1.9 tpp -73.92 -50.78 18.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 39' ' ' ARG . 10.7 p -61.43 -37.35 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -75.86 -35.02 60.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -79.62 -15.63 57.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -40.89 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -39.48 9.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.87 -74.76 0.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -106.65 127.91 53.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -49.93 139.73 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.8 -169.87 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -60.18 161.03 14.15 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.54 179.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.42 116.85 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.93 136.79 34.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.656 HG22 ' CG1' ' A' ' 4' ' ' ILE . 13.9 pt -140.72 122.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.34 43.61 26.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 66.55 31.85 7.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -140.16 108.38 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -63.83 142.51 58.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.89 -31.58 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.24 -73.74 0.38 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.14 150.77 17.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -35.46 76.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.29 -26.36 65.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -36.93 77.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -68.53 -34.96 76.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 12.8 m-85 -72.75 -53.18 12.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.0 86.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.061 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 76' ' ' LYS . 27.0 mt -65.84 -53.08 44.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG2' HD12 ' A' ' 77' ' ' LEU . 4.1 tm-20 -55.49 -37.81 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -82.21 -21.24 36.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -22.74 42.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.72 -3.25 4.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.502 ' HG2' HD22 ' A' ' 71' ' ' LEU . 4.9 mptp? -80.85 2.31 26.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD12 ' HG2' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -50.18 -43.99 52.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.932 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.86 -49.98 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.5 t -65.83 -40.83 92.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.564 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.5 mm? -61.07 -44.79 96.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.473 ' HA ' HG22 ' A' ' 84' ' ' VAL . 5.0 mt -65.92 -43.02 89.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -71.68 -20.93 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.23 -34.32 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.626 HG23 HG11 ' A' ' 27' ' ' VAL . 32.4 m -85.97 -20.69 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 121.425 0.458 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.71 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 151.36 121.97 1.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 18.3 p -129.99 91.33 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtt -144.71 169.07 18.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 173.27 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.0 146.68 34.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.636 HD12 HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -109.93 137.06 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.2 mt -129.74 148.41 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 29' ' ' TYR . 4.1 mt -115.54 139.27 50.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -123.2 106.52 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.437 ' C ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -176.46 -178.25 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -86.49 156.82 56.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.882 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.73 -7.63 21.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -96.17 48.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 p -114.19 94.98 37.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.63 21.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.18 -11.53 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.76 -25.9 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -50.15 -35.6 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.1 mmt-85 -64.05 -50.04 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.51 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -61.55 -30.86 70.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.07 -49.74 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.694 HD21 ' CD ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -61.73 -53.21 59.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.769 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -56.86 -56.99 14.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.22 -44.5 79.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -55.49 -41.04 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.736 ' HE3' HD11 ' A' ' 81' ' ' LEU . 4.6 mptp? -71.36 -33.0 69.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.8 52.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.662 HG11 HG23 ' A' ' 84' ' ' VAL . 7.5 m -129.24 -176.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.115 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -122.35 109.96 15.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.769 ' HB3' HD23 ' A' ' 22' ' ' LEU . 31.6 p90 -100.43 141.57 33.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.1 m -110.39 110.75 21.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -78.07 136.93 37.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mm -121.16 120.99 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.89 144.46 38.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HB2' ' C ' ' A' ' 8' ' ' THR . . . -76.41 59.43 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -127.16 105.52 8.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 p -47.21 -29.03 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.69 -31.53 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.91 -38.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' HG12 ' A' ' 43' ' ' VAL . 9.3 ttp180 -57.97 -33.14 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -62.36 -44.06 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -69.75 -44.9 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -52.58 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 50' ' ' ASN . 6.8 p -62.44 -32.75 56.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -65.71 -51.18 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -78.74 -10.59 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.87 -41.75 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 2.1 p-10 -132.21 -36.72 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.5 -55.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 31.6 ttm180 -173.34 124.41 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.565 ' HB3' HG21 ' A' ' 43' ' ' VAL . 10.6 t-20 -139.78 172.9 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 51' ' ' THR . 3.8 m -158.29 30.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.401 ' N ' HH22 ' A' ' 39' ' ' ARG . 53.8 m-85 -151.61 151.45 28.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.78 52.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.748 2.298 . . . . 0.0 112.366 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -178.21 178.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.53 131.84 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' O ' HD13 ' A' ' 57' ' ' ILE . 1.8 t80 -102.92 135.74 44.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.651 HG22 ' HB3' ' A' ' 83' ' ' ASP . 10.0 mm -123.49 101.64 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 52.45 -101.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -114.71 37.09 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.485 ' HE2' HG22 ' A' ' 62' ' ' VAL . 11.2 t80 -149.01 147.44 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -109.96 118.93 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.602 HG23 HG12 ' A' ' 57' ' ' ILE . 89.2 t -72.48 -74.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.6 -47.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.3 144.69 16.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.2 p -64.94 -36.8 85.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -68.0 -26.15 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -36.54 76.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -70.05 -35.75 74.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 12.5 m-85 -71.41 -53.39 14.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.07 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.645 HD22 ' HG3' ' A' ' 76' ' ' LYS . 34.9 mt -59.95 -49.15 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.694 ' CD ' HD21 ' A' ' 21' ' ' LEU . 27.5 tt0 -56.12 -42.07 76.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.7 -20.68 53.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -23.0 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.13 -7.34 3.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.645 ' HG3' HD22 ' A' ' 71' ' ' LEU . 34.5 mmtm -77.89 -1.53 32.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -50.71 -40.61 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -55.11 -50.0 70.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.9 t -68.32 -47.02 68.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.617 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.2 mm? -54.64 -51.79 64.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.8 HD13 ' HG ' ' A' ' 77' ' ' LEU . 1.7 mp -63.89 -46.64 83.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -61.2 -24.92 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.651 ' HB3' HG22 ' A' ' 57' ' ' ILE . 90.5 m-20 -87.0 -62.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.662 HG23 HG11 ' A' ' 27' ' ' VAL . 31.9 m -52.04 -31.58 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.443 ' HA ' HG12 ' A' ' 27' ' ' VAL . 3.1 m170 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 121.407 0.448 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -172.89 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -77.66 150.98 37.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.3 p -179.29 153.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtm -149.58 116.8 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -131.33 178.34 6.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.06 147.06 44.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.611 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -112.33 138.01 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.7 mt -132.78 151.15 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.34 114.0 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 8' ' ' THR . 96.0 m-85 -96.21 107.48 19.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.41 -178.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.539 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 21.4 ptt-85 -86.87 156.88 55.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.71 -6.89 19.65 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -100.25 53.54 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 8.3 p -120.76 101.49 45.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.79 -7.84 22.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -92.19 -25.79 18.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.7 m -55.84 -25.35 41.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -49.67 -39.72 37.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -64.46 -53.74 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.26 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -57.25 -33.9 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -69.11 -39.9 78.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.646 HD22 ' CD1' ' A' ' 68' ' ' LEU . 3.6 tp -65.07 -46.5 80.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.612 HD13 ' HB3' ' A' ' 29' ' ' TYR . 4.6 mt -68.06 -47.85 67.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -63.07 -29.38 70.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -76.31 -39.0 55.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.674 ' CE ' HD11 ' A' ' 81' ' ' LEU . 11.3 mmtt -71.54 -32.0 67.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.15 49.84 1.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -125.16 172.65 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 111.109 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.12 105.73 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.612 ' HB3' HD13 ' A' ' 22' ' ' LEU . 38.2 p90 -97.47 144.63 27.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.2 m -107.88 117.73 34.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.44 121.43 27.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.408 HG21 ' CD1' ' A' ' 7' ' ' TYR . 28.9 mm -106.92 118.96 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.35 143.18 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.539 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.88 -17.54 51.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 t -49.6 104.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.0 p -54.45 -26.23 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.5 m -49.73 -31.4 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tp -121.9 -35.05 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -46.8 81.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -41.1 71.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -68.24 -49.47 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.3 -51.81 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.11 -33.73 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -61.94 -51.44 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.03 -12.7 59.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.15 -41.6 41.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.46 -43.96 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.13 27.92 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -176.24 173.21 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.81 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -145.3 143.21 30.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.75 -70.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -130.2 153.48 81.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.02 28.96 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.728 2.286 . . . . 0.0 112.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.73 178.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 64' ' ' GLY . 4.6 mp -97.35 118.73 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.97 139.97 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.611 HG22 ' CG1' ' A' ' 4' ' ' ILE . 11.5 pt -141.92 120.93 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.68 43.24 29.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 67.73 31.43 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -140.7 108.04 5.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -63.03 142.91 58.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.448 HG23 HG12 ' A' ' 57' ' ' ILE . 99.3 t -101.73 -69.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.6 -68.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.614 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -135.25 -174.84 13.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.434 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.28 -64.41 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -55.25 -25.72 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.53 -55.28 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.646 ' CD1' HD22 ' A' ' 21' ' ' LEU . 2.1 pp -52.08 -37.96 55.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.595 ' CE1' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.55 -51.04 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.01 82.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.82 -56.18 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.635 ' OE1' HD21 ' A' ' 21' ' ' LEU . 19.2 pt-20 -57.34 -27.8 62.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -86.43 -23.82 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -22.43 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.76 -1.2 4.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.91 11.33 16.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.715 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -56.21 -39.69 72.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.72 -49.88 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.9 t -65.04 -49.21 71.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -54.9 -51.86 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.715 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -61.32 -39.74 91.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -70.22 -23.43 62.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -85.3 -40.54 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 81' ' ' LEU . 33.7 m -77.96 -33.4 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 m170 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 121.461 0.478 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -171.51 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -63.65 98.9 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 77.9 p -148.23 119.91 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.356 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mtp -116.06 -25.27 7.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -144.83 178.28 8.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.6 148.17 37.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.606 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -106.4 137.71 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.585 HG23 ' HB ' ' A' ' 30' ' ' THR . 5.4 mt -138.94 114.5 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.03 130.56 35.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' HG23 ' A' ' 8' ' ' THR . 63.0 m-85 -107.15 107.43 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 179.91 173.89 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -87.57 156.61 53.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.09 7.25 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 65.72 13.56 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.3 p -84.96 114.56 56.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -16.17 37.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -78.13 -35.4 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.3 m -62.55 -24.73 67.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -49.35 -40.17 34.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -65.09 -53.3 47.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.29 -54.25 49.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -58.98 -33.98 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.29 -49.09 73.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 21' ' ' LEU . 9.9 tt -61.37 -47.58 85.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -58.68 -58.25 9.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.11 -37.33 69.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -65.17 -37.63 87.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' HG2' HD22 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -72.26 -32.41 66.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.52 46.5 1.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -126.69 171.8 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 111.104 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.57 106.56 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.655 ' HB3' HD23 ' A' ' 22' ' ' LEU . 36.0 p90 -92.73 145.93 24.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' HG23 ' A' ' 5' ' ' ILE . 55.1 m -105.34 124.67 49.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.26 122.87 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CE1' ' A' ' 7' ' ' TYR . 31.8 mm -109.18 116.67 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -63.38 143.72 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.65 -23.13 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.6 m -47.7 109.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -53.27 -25.72 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 t -49.24 -32.09 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 tp -125.59 -33.16 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.561 HH22 ' N ' ' A' ' 52' ' ' PHE . 1.4 tpt180 -65.56 -40.97 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -72.74 -44.28 61.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -66.72 -42.04 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.43 ' CE ' HD12 ' A' ' 32' ' ' ILE . 12.3 tpp -67.74 -52.31 38.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 p -61.51 -30.11 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.39 -48.31 42.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -78.33 -9.93 59.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 -40.73 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.03 -45.0 3.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.26 -38.52 1.85 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.49 105.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.851 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -152.85 154.78 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 t -146.79 17.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' N ' HH22 ' A' ' 39' ' ' ARG . 25.0 m-85 -117.23 148.27 42.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.86 46.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.74 178.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.542 HD13 HD23 ' A' ' 68' ' ' LEU . 8.4 mt -108.97 125.23 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.56 135.86 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.535 HG22 HG12 ' A' ' 4' ' ' ILE . 7.0 pt -144.52 122.93 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.42 42.89 19.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 66.72 34.26 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -142.77 112.83 7.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -68.94 142.63 54.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.465 HG23 HG12 ' A' ' 57' ' ' ILE . 94.5 t -109.63 -70.5 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.1 -134.14 5.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.527 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -57.01 -179.25 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.518 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.518 ' HA ' HD11 ' A' ' 55' ' ' ILE . 3.9 m -76.34 -56.54 4.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -54.99 -25.82 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.58 -55.14 24.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.542 HD23 HD13 ' A' ' 55' ' ' ILE . 1.9 pp -53.93 -37.6 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -52.88 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.05 -52.53 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.43 -46.68 86.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -56.12 -39.6 72.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -80.94 -20.35 42.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -22.46 42.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.08 -4.48 3.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -79.15 -0.35 31.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.466 HD11 HD11 ' A' ' 81' ' ' LEU . 1.8 tp -49.32 -46.94 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -53.08 -43.8 67.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 t -72.58 -52.86 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 57' ' ' ILE . 2.9 mm? -53.37 -52.99 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.485 HD22 ' HG2' ' A' ' 25' ' ' LYS . 30.9 mt -61.11 -51.64 68.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -59.23 -22.34 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -82.3 -52.46 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.606 HG12 ' HB ' ' A' ' 4' ' ' ILE . 18.3 m -65.52 -22.78 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 121.427 0.46 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 144.98 55.39 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -146.26 -172.81 16.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 27.0 m -116.22 126.01 53.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ttt -100.5 130.72 46.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -65.69 114.21 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.15 144.56 47.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.761 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -96.66 138.36 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.0 mt -133.6 150.95 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -128.71 114.62 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 8' ' ' THR . 97.3 m-85 -94.8 110.68 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.63 -178.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 11.2 ptm180 -87.15 158.92 52.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.81 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -106.19 55.89 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 5.3 p -113.72 98.53 47.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.74 -6.92 19.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -102.62 -41.47 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -54.58 -23.25 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -48.61 -39.15 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -62.36 -40.15 95.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.576 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -64.56 -54.6 29.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.449 ' HA ' HD12 ' A' ' 22' ' ' LEU . 16.8 ptm180 -59.18 -32.09 69.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -71.43 -43.24 67.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.666 HD11 ' HG3' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -61.38 -48.77 79.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.527 HD22 HG21 ' A' ' 4' ' ' ILE . 1.2 mt -65.0 -57.23 9.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -52.51 -35.51 53.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -77.81 -28.41 50.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -31.89 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.69 54.24 0.65 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.584 HG21 ' HB ' ' A' ' 84' ' ' VAL . 3.1 m -146.46 177.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.353 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -118.6 106.21 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.565 ' CD1' HD21 ' A' ' 6' ' ' LEU . 37.1 p90 -92.34 145.37 24.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.7 m -104.97 115.76 30.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -84.83 125.56 32.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.424 HG21 ' CD1' ' A' ' 7' ' ' TYR . 50.9 mm -109.36 117.35 54.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.6 142.81 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.48 -18.54 52.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -50.91 114.74 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.584 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 68.5 p -66.48 -24.74 66.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 p -49.9 -31.45 12.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -123.18 -35.21 3.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' CZ ' HG22 ' A' ' 36' ' ' THR . 6.0 ttp180 -61.41 -39.95 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -58.78 -40.04 82.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -70.75 -49.62 44.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.421 ' CE ' HD12 ' A' ' 32' ' ' ILE . 5.8 tpp -59.73 -51.46 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 39' ' ' ARG . 8.5 p -63.21 -35.04 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -61.48 -50.19 73.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -81.33 -11.35 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.4 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -113.53 -38.62 4.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.23 23.71 3.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -174.97 165.76 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.67 132.73 50.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.64 -170.61 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 10.6 p90 -59.63 157.8 25.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 53.3 Cg_endo -69.77 159.05 54.84 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.249 . . . . 0.0 112.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -175.02 -178.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.53 HD13 ' O ' ' A' ' 64' ' ' GLY . 5.4 mp -94.17 119.15 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.29 148.9 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.8 mt -137.28 91.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.78 -86.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -130.44 15.39 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -128.97 129.92 46.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -99.49 116.73 32.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.72 -74.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.95 -8.65 7.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.53 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -174.9 169.03 41.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.8 m -82.35 -51.7 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.36 -25.37 23.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.5 -40.67 66.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -69.61 -37.37 76.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.429 ' CD1' HD11 ' A' ' 68' ' ' LEU . 16.7 m-85 -71.77 -52.9 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.12 -52.27 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 ' HE2' ' A' ' 74' ' ' LYS . 79.7 mt -57.86 -47.44 82.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.666 ' HG3' HD11 ' A' ' 21' ' ' LEU . 6.6 tm-20 -56.41 -39.32 72.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -85.3 -12.32 52.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.496 ' HE2' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -86.27 -22.87 26.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.33 -6.73 3.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HG3' HD22 ' A' ' 71' ' ' LEU . 40.0 mmtt -77.09 -2.16 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -52.48 -43.53 65.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -51.75 -44.7 63.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -68.76 -50.06 53.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.683 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.9 mm? -54.73 -47.55 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.12 -47.39 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -61.64 -24.96 67.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -86.36 -62.21 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.761 HG12 ' HB ' ' A' ' 4' ' ' ILE . 27.7 m -52.01 -30.7 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.182 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.0 m170 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.94 146.7 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.628 HG12 HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -104.04 137.68 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.1 mt -131.46 126.31 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.62 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -106.81 126.34 52.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 8' ' ' THR . 97.1 m-85 -105.34 107.58 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 179.98 -179.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.095 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 20.8 ptt180 -87.61 158.69 50.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.79 -8.19 22.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.336 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -100.75 54.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 4.9 p -114.84 98.25 49.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.83 -6.35 18.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -103.59 -40.96 6.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.4 p -55.0 -23.48 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -48.68 -32.75 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -66.12 -47.05 75.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -61.82 -54.07 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.04 -36.23 76.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.1 -48.55 78.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.43 HD12 ' CE1' ' A' ' 69' ' ' TYR . 7.0 tt -60.55 -46.62 89.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -56.59 -58.05 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -58.86 -31.61 68.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -67.4 -40.16 85.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.807 ' HE3' HD11 ' A' ' 81' ' ' LEU . 19.0 mmtt -72.0 -32.09 66.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.95 47.08 1.29 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG11 HG23 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -123.15 174.24 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 111.12 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.45 111.04 22.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.62 ' CD1' HD21 ' A' ' 6' ' ' LEU . 35.6 p90 -103.59 138.33 40.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.443 ' HB ' HG23 ' A' ' 5' ' ' ILE . 89.7 m -100.81 118.16 36.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -87.1 111.51 20.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG21 ' CD1' ' A' ' 7' ' ' TYR . 31.4 mm -97.61 121.83 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -58.32 143.2 45.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.14 -20.65 27.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 p -49.58 106.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.52 HG22 ' HE ' ' A' ' 39' ' ' ARG . 63.6 p -56.01 -24.65 40.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -50.91 -31.41 17.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.06 -29.97 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.52 ' HE ' HG22 ' A' ' 36' ' ' THR . 5.0 tmm_? -70.07 -44.3 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -59.95 -45.99 90.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.05 -41.99 81.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -52.65 60.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.01 -34.47 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.75 -49.87 73.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.43 -11.07 59.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.32 -42.68 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -113.32 -38.24 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.99 -35.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -170.04 113.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -174.49 153.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 t -153.07 53.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -150.18 157.94 36.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.9 41.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.27 175.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.519 HD13 ' C ' ' A' ' 64' ' ' GLY . 5.0 mp -102.89 113.09 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.3 140.82 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.628 HG22 HG12 ' A' ' 4' ' ' ILE . 1.1 pp -140.81 113.44 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.04 -96.98 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.525 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -129.26 30.99 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.4 ' HD2' HD11 ' A' ' 57' ' ' ILE . 59.1 t80 -142.95 147.14 34.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -111.2 105.05 13.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.33 -73.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.34 -75.26 0.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.519 ' C ' HD13 ' A' ' 55' ' ' ILE . . . -95.27 160.74 23.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 43.3 t -70.87 -60.31 2.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.02 -26.05 34.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.47 -51.34 59.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 18' ' ' ALA . 1.9 pp -57.71 -36.55 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE1' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.33 -52.97 27.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.16 -52.54 62.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.92 -48.32 81.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -56.57 -34.62 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -84.07 -21.45 31.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 -22.01 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.44 -2.84 3.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -84.17 4.56 29.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.68 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -51.85 -41.65 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -53.52 -47.33 70.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 t -66.76 -50.32 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.72 -52.32 62.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.807 HD11 ' HE3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -62.42 -39.54 93.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -67.9 -25.33 65.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -85.09 -49.18 8.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.506 HG23 HG11 ' A' ' 27' ' ' VAL . 27.6 m -68.58 -26.58 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.43 146.24 41.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.569 HG13 HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -111.21 137.82 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.1 mt -130.68 145.11 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -120.41 114.29 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' HG23 ' A' ' 8' ' ' THR . 93.7 m-85 -94.61 113.56 25.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.49 179.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.91 156.5 52.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.76 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -98.07 52.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 p -116.27 96.05 46.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -8.01 22.49 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.18 -12.18 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 m -54.28 -24.26 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -48.84 -39.58 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.2 mtt-85 -61.88 -54.56 40.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -58.17 9.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -54.43 -31.53 55.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.54 -43.94 75.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.754 HD11 ' HG3' ' A' ' 72' ' ' GLU . 7.6 tt -61.4 -53.27 58.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 29' ' ' TYR . 9.7 mt -62.01 -51.48 67.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.93 -38.65 76.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -64.55 -39.13 93.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -32.58 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.42 45.65 3.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.2 176.17 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.945 0.402 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -106.67 114.41 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.603 ' HB2' HD21 ' A' ' 6' ' ' LEU . 40.0 p90 -106.94 146.97 30.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.012 0.434 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.7 m -115.99 117.24 29.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -82.63 133.62 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -119.34 120.46 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -53.56 143.51 19.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.431 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -59.16 -18.95 40.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -50.24 104.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.403 HG22 ' NH2' ' A' ' 39' ' ' ARG . 73.2 p -52.55 -27.44 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t -50.83 -30.72 15.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.8 mt -120.2 -34.08 3.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' NH2' HG22 ' A' ' 36' ' ' THR . 39.1 ttp85 -66.86 -48.6 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -59.32 -41.67 89.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.28 -45.81 79.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.56 -52.01 59.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 50' ' ' ASN . 10.0 p -61.49 -31.41 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -48.59 59.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -78.95 -11.05 59.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.68 -40.97 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.62 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -105.03 -46.67 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.99 -45.7 1.06 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.62 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 31.4 ttm180 -160.23 94.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.522 ' ND2' ' H ' ' A' ' 52' ' ' PHE . 2.5 t30 -157.32 147.5 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -146.73 53.68 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.522 ' H ' ' ND2' ' A' ' 50' ' ' ASN . 62.8 m-85 -151.35 156.45 34.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.628 0.728 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 136.94 34.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -174.87 176.33 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 55' ' ' ILE . 5.1 mp -102.41 117.05 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.3 143.75 27.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.652 ' CD1' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -140.69 103.64 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.02 -91.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -131.43 22.04 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -128.2 146.83 50.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -118.17 118.57 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.652 HG23 ' CD1' ' A' ' 57' ' ' ILE . 69.0 t -69.72 -75.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.51 -47.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.466 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -131.66 132.51 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.6 p -53.21 -42.01 65.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.344 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.09 -25.64 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -41.54 77.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -70.2 -34.77 73.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -71.84 -53.1 14.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.1 78.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.037 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' A' ' 76' ' ' LYS . 64.8 mt -59.64 -48.9 79.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.754 ' HG3' HD11 ' A' ' 21' ' ' LEU . 4.4 tm-20 -56.28 -41.06 75.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -80.87 -15.94 54.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -22.49 31.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.5 -4.87 3.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG3' HD22 ' A' ' 71' ' ' LEU . 39.5 mmtm -80.15 0.89 30.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HG ' HD13 ' A' ' 81' ' ' LEU . 1.4 tp -50.73 -40.9 55.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -54.18 -50.16 67.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -64.88 -48.99 72.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 84' ' ' VAL . 2.3 mm? -54.67 -36.79 64.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.507 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -71.62 -50.67 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -60.49 -25.23 65.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.81 -52.54 6.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 80' ' ' LEU . 20.3 m -66.74 -20.41 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.4 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.746 0.308 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.28 146.42 38.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.693 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -104.61 137.59 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -132.25 150.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.703 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -130.8 115.56 16.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 8' ' ' THR . 97.7 m-85 -94.28 107.71 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -179.31 -179.15 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.5 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 11.5 ptm180 -87.68 158.31 51.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.8 -8.27 23.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -103.68 56.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 4.7 p -114.85 99.54 52.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.1 Cg_endo -69.76 -7.41 20.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -101.76 -41.6 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -55.64 -22.7 24.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -48.8 -32.48 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -41.52 88.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.16 -54.88 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -59.26 -32.45 70.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.53 -42.49 67.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -61.89 -49.36 76.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 21' ' ' LEU . 1.1 mt -64.77 -56.47 13.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -52.15 -36.93 52.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -77.82 -28.25 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -31.46 67.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.43 1.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG11 HG23 ' A' ' 84' ' ' VAL . 1.6 m -132.32 173.61 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 104.24 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CD1' HD21 ' A' ' 6' ' ' LEU . 37.9 p90 -92.14 144.57 25.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -102.47 113.45 26.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -84.49 113.37 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.579 HD12 ' CE ' ' A' ' 42' ' ' MET . 26.6 mm -96.22 120.36 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.3 143.58 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -61.0 -17.62 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.5 m -49.13 110.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.7 p -64.7 -24.43 67.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.7 m -49.19 -31.89 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.39 -35.08 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.49 ' O ' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.9 -36.52 77.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.445 ' HA ' HG12 ' A' ' 43' ' ' VAL . 38.2 tt0 -67.4 -37.51 83.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.44 -36.04 68.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.579 ' CE ' HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -75.82 -46.53 30.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 39' ' ' ARG . 10.5 p -64.37 -38.72 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' N ' HG13 ' A' ' 43' ' ' VAL . 3.7 pp0? -75.35 -35.4 61.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -79.31 -17.33 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.33 -40.79 10.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.665 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -97.59 -47.6 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.72 -29.07 2.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.665 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 18.6 tpt180 -177.72 98.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -143.69 149.69 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.632 HG23 ' CD2' ' A' ' 52' ' ' PHE . 11.6 t -141.59 31.93 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CD2' HG23 ' A' ' 51' ' ' THR . 58.2 m-85 -151.05 154.13 33.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.496 ' HB2' HG23 ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.78 144.64 54.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -174.64 177.26 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.601 HD13 ' O ' ' A' ' 64' ' ' GLY . 4.9 mp -102.08 128.68 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.12 145.96 33.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.433 HD13 HD13 ' A' ' 80' ' ' LEU . 67.1 mt -134.13 91.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.92 -98.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -115.54 29.67 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -149.06 119.84 7.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -93.45 119.47 32.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.69 -75.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.77 -58.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.601 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -120.43 173.5 15.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.47 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.0 m -73.01 -66.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.18 -26.17 26.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.71 -47.26 67.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.86 -37.6 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HA ' ' HG2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -66.8 -51.21 58.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.15 -38.84 80.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.762 HD22 ' HG2' ' A' ' 76' ' ' LYS . 14.6 mt -64.66 -55.83 17.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.566 ' OE1' HD11 ' A' ' 21' ' ' LEU . 13.3 pt-20 -57.13 -27.99 62.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -86.24 -23.39 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.46 -21.64 35.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.09 0.54 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.762 ' HG2' HD22 ' A' ' 71' ' ' LEU . 9.7 mptt -86.77 9.68 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.79 -42.83 98.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -51.09 -44.87 61.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -71.3 -45.31 63.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.658 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.6 mm? -55.08 -52.71 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 81' ' ' LEU . 5.2 mt -65.22 -51.45 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -56.87 -23.92 47.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -88.12 -64.69 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.693 HG12 ' HB ' ' A' ' 4' ' ' ILE . 29.5 m -51.51 -29.19 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.748 0.308 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -137.89 146.99 44.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.709 HG21 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -108.09 137.26 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.42 144.17 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.564 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -119.01 118.34 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.531 ' CE1' HG21 ' A' ' 32' ' ' ILE . 93.4 m-85 -100.06 108.18 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -177.41 -179.8 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.515 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 10.8 ptt-85 -88.27 155.54 51.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.19 14.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.52 16.62 9.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 12.8 p -80.03 114.12 43.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.1 Cg_endo -69.75 -14.52 36.23 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -80.12 -36.21 35.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 m -60.74 -24.86 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -40.94 42.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -64.57 -53.23 51.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -54.73 43.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 22' ' ' LEU . 4.7 ptt85 -58.42 -33.93 70.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -64.61 -48.61 74.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.635 HD11 ' OE1' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -61.9 -50.01 73.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.709 HD22 HG21 ' A' ' 4' ' ' ILE . 2.1 mt -62.25 -57.0 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.72 -30.91 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -75.05 -36.13 61.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.766 ' HE3' HD11 ' A' ' 81' ' ' LEU . 3.1 mmtt -71.57 -31.8 67.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.41 45.09 1.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.85 168.83 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -107.91 108.0 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CD1' HD21 ' A' ' 6' ' ' LEU . 41.5 p90 -96.79 145.39 25.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.3 m -108.01 121.34 44.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -86.87 128.01 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.531 HG21 ' CE1' ' A' ' 7' ' ' TYR . 25.3 mm -113.77 121.29 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -54.29 142.14 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -61.13 -18.26 57.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 m -50.81 108.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.725 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 30.7 p -54.28 -25.93 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -50.72 -30.84 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mp -122.81 -29.46 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.725 ' CZ ' HG22 ' A' ' 36' ' ' THR . 5.8 tmm_? -71.16 -39.07 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.92 -46.33 75.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -70.11 -31.59 69.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.483 ' SD ' HD12 ' A' ' 32' ' ' ILE . 5.2 mtt -75.37 -51.48 13.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 39' ' ' ARG . 7.4 p -62.75 -36.15 74.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -75.63 -36.39 60.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.1 tpt85 -80.84 -13.43 58.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.74 -41.15 8.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.71 -40.07 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.71 -46.41 0.86 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -169.77 101.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -153.83 151.11 29.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -141.26 48.41 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -151.53 151.76 29.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.748 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.8 66.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.75 177.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.601 HD13 ' O ' ' A' ' 64' ' ' GLY . 4.5 mp -100.77 118.1 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.81 138.83 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.495 HG12 HG23 ' A' ' 62' ' ' VAL . 7.9 pt -145.7 122.02 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 50.41 44.0 44.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 65.35 28.21 11.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -137.39 109.72 7.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -66.86 142.85 57.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.495 HG23 HG12 ' A' ' 57' ' ' ILE . 93.9 t -105.4 -69.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.04 -82.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.601 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -103.13 171.2 20.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.52 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.3 t -72.39 -61.06 1.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -54.36 -25.68 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.09 -47.68 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.1 pp -59.74 -38.32 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.487 ' CE1' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -67.65 -53.53 27.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.87 -46.69 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.78 HD22 ' HG2' ' A' ' 76' ' ' LYS . 11.9 mt -60.84 -50.08 74.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.635 ' OE1' HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -56.78 -30.86 64.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -85.16 -25.72 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -77.98 -22.04 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.72 -0.8 5.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.78 ' HG2' HD22 ' A' ' 71' ' ' LEU . 3.7 mptt -85.55 6.86 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.679 ' HG ' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -56.51 -39.37 73.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -53.97 -50.12 67.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -65.44 -50.94 63.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' CD1' HD13 ' A' ' 57' ' ' ILE . 3.1 mm? -54.69 -42.09 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.766 HD11 ' HE3' ' A' ' 25' ' ' LYS . 2.3 mm? -65.51 -47.18 76.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -67.33 -21.88 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -83.21 -37.42 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.504 HG12 ' HB ' ' A' ' 4' ' ' ILE . 33.2 m -82.71 -26.99 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.735 0.303 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.72 146.95 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.648 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -111.21 137.87 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.0 mt -131.45 126.19 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' A' ' 29' ' ' TYR . 2.0 pp -106.47 127.62 53.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.522 ' CE1' HG21 ' A' ' 32' ' ' ILE . 94.6 m-85 -104.39 114.76 29.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.12 -178.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.512 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -85.87 158.21 56.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.76 -5.3 15.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -121.55 60.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.6 p -119.97 108.39 38.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.642 0.734 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.95 22.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -88.11 -34.76 17.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.0 m -55.34 -24.42 29.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -48.78 -38.33 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -53.83 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.02 -54.16 50.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -59.01 -34.01 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.72 -49.02 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.613 HD11 ' OE1' ' A' ' 72' ' ' GLU . 4.5 tt -61.78 -53.48 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.64 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -52.73 -57.7 9.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.38 -39.49 83.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -55.6 -41.65 73.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HE2' HD21 ' A' ' 81' ' ' LEU . 24.4 mmtm -77.2 -31.96 55.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.76 59.51 0.78 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 22' ' ' LEU . 2.7 m -132.28 171.45 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -109.17 111.22 22.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.64 ' HB3' HD23 ' A' ' 22' ' ' LEU . 35.4 p90 -101.15 144.8 29.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.496 ' HB ' HG23 ' A' ' 5' ' ' ILE . 92.3 m -102.6 116.46 32.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.5 115.38 23.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.522 HG21 ' CE1' ' A' ' 7' ' ' TYR . 23.3 mm -99.84 120.33 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.38 142.34 13.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.512 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -63.18 -16.89 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -51.4 103.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.593 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 47.0 p -53.16 -28.16 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 t -50.2 -31.28 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 mt -118.66 -37.43 3.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.593 ' CZ ' HG22 ' A' ' 36' ' ' THR . 7.0 tmm_? -62.49 -49.46 75.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -53.2 -39.74 63.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.45 -49.84 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -51.47 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.13 -35.77 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -59.98 -50.27 74.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -13.18 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.6 55.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.59 -38.54 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 140.67 -38.69 1.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -167.58 103.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -163.32 153.34 15.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 t -149.7 55.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -151.44 154.06 33.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 146.01 59.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.65 177.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 64' ' ' GLY . 5.1 mp -102.28 113.92 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.93 137.53 33.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.648 HG22 ' CG1' ' A' ' 4' ' ' ILE . 13.9 pt -140.87 121.16 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.17 44.25 26.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.18 31.81 6.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' ILE . 43.7 t80 -140.45 105.16 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -64.4 142.55 58.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.464 HG12 ' HB3' ' A' ' 67' ' ' ASP . 86.3 t -106.77 -68.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.431 ' O ' HD12 ' A' ' 55' ' ' ILE . . . 152.68 -111.34 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.55 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -87.19 173.73 44.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.512 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.5 p -66.12 -38.74 88.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -75.1 -26.29 59.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.464 ' HB3' HG12 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -52.87 -55.22 24.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.5 pp -55.85 -38.69 70.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -52.81 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.93 -52.85 56.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.88 -47.68 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.613 ' OE1' HD11 ' A' ' 21' ' ' LEU . 35.8 tt0 -56.43 -35.41 67.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.66 -23.14 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -78.41 -22.3 47.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.58 -2.2 3.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -83.08 3.41 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.562 ' HG ' HD23 ' A' ' 81' ' ' LEU . 1.1 tt -54.74 -43.82 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -44.06 68.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -69.28 -52.83 23.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.32 -52.51 61.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.579 HD21 ' HE2' ' A' ' 25' ' ' LYS . 3.6 mm? -59.25 -54.53 45.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -58.75 -22.57 58.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -81.32 -68.6 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.498 HG12 ' HB ' ' A' ' 4' ' ' ILE . 33.0 m -50.72 -30.58 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mptt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.766 0.317 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -134.51 146.78 50.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -105.45 138.21 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.475 HG23 ' HB ' ' A' ' 30' ' ' THR . 3.9 mt -131.19 134.45 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.488 HD21 ' CD1' ' A' ' 29' ' ' TYR . 1.7 pp -114.74 120.87 41.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 8' ' ' THR . 95.1 m-85 -97.8 107.59 20.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.81 -178.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 2.9 ptp85 -86.23 158.49 55.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.79 -6.12 17.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -121.02 61.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 p -118.78 109.35 39.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.643 0.735 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.15 20.32 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -94.91 -59.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 p -53.57 -23.33 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -48.33 -32.5 7.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -66.87 -43.17 84.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.447 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -67.16 -54.89 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.477 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -58.49 -32.09 68.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -70.7 -43.83 68.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.28 -49.47 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 19' ' ' ARG . 1.5 mt -62.77 -56.08 20.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.9 -38.12 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -77.76 -26.2 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -32.44 68.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.82 34.54 3.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.543 HG11 HG23 ' A' ' 84' ' ' VAL . 1.3 m -120.57 172.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -107.75 115.97 31.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.488 ' CD1' HD21 ' A' ' 6' ' ' LEU . 47.5 p90 -110.25 142.88 41.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.475 ' HB ' HG23 ' A' ' 5' ' ' ILE . 92.0 m -101.49 116.0 31.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.42 112.49 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.1 mm -98.14 118.21 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -54.09 143.05 23.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.09 -15.83 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -50.14 103.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -53.8 -25.88 21.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.509 ' O ' HD22 ' A' ' 38' ' ' LEU . 2.7 t -49.47 -31.68 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 37' ' ' SER . 4.3 mm? -124.6 -35.46 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 43' ' ' VAL . 12.4 ttp180 -60.21 -34.87 74.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.73 -40.16 91.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.21 -37.34 72.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.12 -50.47 22.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 39' ' ' ARG . 9.7 p -60.85 -38.4 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -75.36 -33.97 61.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -79.0 -17.02 56.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.47 -41.09 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.96 -45.08 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.07 -6.81 3.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -173.43 155.45 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -63.85 149.94 45.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.78 -178.23 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.418 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 13.8 p90 -59.96 157.47 30.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.0 Cg_endo -69.76 157.69 59.52 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -176.04 -179.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.497 HD13 ' C ' ' A' ' 64' ' ' GLY . 5.2 mp -94.65 112.82 27.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.25 143.7 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.431 HD11 ' HD2' ' A' ' 60' ' ' TYR . 1.7 pp -138.8 119.83 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 51.52 -102.16 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.3 40.76 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.431 ' HD2' HD11 ' A' ' 57' ' ' ILE . 41.4 t80 -154.22 147.66 25.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -105.64 111.06 23.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.94 -74.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.44 -81.18 0.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.497 ' C ' HD13 ' A' ' 55' ' ' ILE . . . -109.11 160.4 13.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.8 p -62.28 -37.1 84.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -74.62 -26.69 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -55.09 -55.55 29.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.447 HD21 ' CB ' ' A' ' 18' ' ' ALA . 2.1 pp -57.76 -37.12 73.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.401 ' HA ' ' HG2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -63.62 -51.43 65.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.28 88.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 68' ' ' LEU . 20.1 mt -61.89 -56.32 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HG2' ' HA ' ' A' ' 69' ' ' TYR . 9.8 pt-20 -57.43 -26.65 61.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -86.08 -24.81 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.55 -22.22 41.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.84 -0.64 4.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -85.83 8.86 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.639 ' HG ' HD23 ' A' ' 81' ' ' LEU . 1.4 tt -57.51 -37.89 73.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.63 -44.92 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -72.96 -49.37 29.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.2 mm? -54.69 -40.6 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.639 HD23 ' HG ' ' A' ' 77' ' ' LEU . 3.3 mm? -74.3 -45.23 48.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -61.15 -24.78 66.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.5 -59.69 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 80' ' ' LEU . 33.9 m -56.55 -25.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.7 t60 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -132.64 146.26 51.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.621 HG13 HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -115.33 137.73 47.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.51 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.5 mt -129.59 149.02 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -125.81 114.42 18.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.491 ' CD2' HG21 ' A' ' 32' ' ' ILE . 91.9 m-85 -96.78 113.34 24.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.491 HG21 ' SG ' ' A' ' 15' ' ' CYS . 13.6 t -176.1 179.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.558 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.45 157.12 53.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 110.838 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.75 -16.34 37.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -94.77 36.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -106.87 94.4 10.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.59 26.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -72.93 -9.65 58.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.491 ' SG ' HG21 ' A' ' 8' ' ' THR . 66.7 m -75.4 -21.81 57.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -47.24 -38.43 12.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -62.68 -47.5 83.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -57.64 12.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -53.63 -34.79 59.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -67.3 -41.93 84.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 72' ' ' GLU . 9.9 tt -61.03 -51.39 69.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 29' ' ' TYR . 10.5 mt -61.67 -55.65 28.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.5 -39.81 70.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -62.36 -40.18 95.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HE2' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -71.1 -32.54 69.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.54 50.42 1.84 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG11 HG23 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -126.18 176.49 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.934 0.397 . . . . 0.0 111.129 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -108.54 117.63 34.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CD1' HD21 ' A' ' 6' ' ' LEU . 35.8 p90 -112.19 148.12 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.9 m -114.34 121.5 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -85.72 130.41 34.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 7' ' ' TYR . 30.0 mm -116.08 121.02 66.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -52.06 142.95 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.558 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -61.45 -17.65 55.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -50.5 106.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.699 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 22.1 p -58.92 -25.25 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.41 ' O ' HD22 ' A' ' 38' ' ' LEU . 65.4 p -50.13 -31.52 13.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.41 HD22 ' O ' ' A' ' 37' ' ' SER . 4.2 mm? -122.52 -34.33 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.699 ' CZ ' HG22 ' A' ' 36' ' ' THR . 6.3 tmm_? -62.74 -42.8 99.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.31 -42.12 90.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.22 -45.4 76.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -51.28 65.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.59 -30.3 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.28 -46.15 57.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -79.13 -13.58 59.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.7 -40.75 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.649 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -102.97 -48.15 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.96 -40.24 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.649 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 46.5 ttm-85 -165.55 88.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -148.57 145.98 28.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 t -143.37 48.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -151.45 152.72 31.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.666 0.746 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.02 36.97 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.729 2.286 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.21 177.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.72 132.25 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.82 143.07 45.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.617 ' CD1' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -139.07 107.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.66 -91.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -132.99 23.4 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -132.86 138.6 47.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -110.12 117.46 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.617 HG23 ' CD1' ' A' ' 57' ' ' ILE . 69.8 t -60.92 -75.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.95 -47.29 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -133.71 159.82 23.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.3 m -70.94 -53.82 13.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -55.68 -25.22 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -46.83 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.462 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -69.73 -36.51 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.42 ' CD1' HD11 ' A' ' 68' ' ' LEU . 18.6 m-85 -70.62 -53.55 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.43 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.6 mt -56.57 -48.27 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.731 ' HG3' HD11 ' A' ' 21' ' ' LEU . 6.8 tm-20 -56.26 -40.21 73.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -79.44 -19.5 49.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -81.61 -22.48 37.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.23 -7.46 2.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -73.06 -5.93 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.11 -42.75 29.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.28 -50.49 69.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 t -63.41 -50.8 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.3 mm? -54.8 -34.29 62.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.453 HD11 ' HE2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -70.8 -53.11 16.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -60.59 -24.99 65.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -81.19 -59.33 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.621 HG12 HG13 ' A' ' 4' ' ' ILE . 22.7 m -62.13 -23.48 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.686 0.279 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -142.93 147.35 35.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.708 HD12 HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -107.78 137.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.604 ' N ' HD13 ' A' ' 4' ' ' ILE . 5.6 mt -133.36 144.09 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -118.67 114.44 22.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 32' ' ' ILE . 94.7 m-85 -101.82 107.47 18.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.455 ' C ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -177.2 -178.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.582 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 12.3 ptm180 -86.6 156.78 55.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.617 0.723 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -6.79 19.43 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.709 2.272 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -96.94 48.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 p -117.11 97.61 50.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -7.28 20.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -95.36 -20.89 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.3 m -53.89 -25.86 22.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -50.21 -33.01 17.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -49.54 60.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -54.91 38.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -36.42 75.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.92 -48.93 76.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.92 -53.21 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -53.25 -57.75 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.89 -37.02 75.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.52 -41.6 85.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.635 ' HE3' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -76.59 -32.25 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.01 53.59 1.17 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.613 HG11 HG23 ' A' ' 84' ' ' VAL . 1.1 m -125.57 177.95 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 114.19 27.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.712 ' HB3' HD23 ' A' ' 22' ' ' LEU . 40.9 p90 -104.58 144.91 31.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -109.45 119.39 39.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -84.95 134.96 34.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' A' ' 7' ' ' TYR . 22.3 mm -124.19 120.79 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -56.6 143.04 37.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.582 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -62.8 -16.1 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.6 t -49.8 106.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -56.22 -24.96 45.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' HD22 ' A' ' 38' ' ' LEU . 7.4 t -49.86 -31.51 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 37' ' ' SER . 4.4 mm? -124.43 -34.57 2.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 43' ' ' VAL . 18.4 ttp85 -62.2 -36.23 81.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.666 ' OE1' HG23 ' A' ' 51' ' ' THR . 4.6 tp60 -66.53 -37.48 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -70.4 -48.7 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -51.48 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 39' ' ' ARG . 10.6 p -62.84 -36.34 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.03 -51.3 69.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -79.0 -13.09 60.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.12 -41.09 43.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.29 -45.96 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.96 -57.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.545 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -152.68 116.36 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' HB2' HG22 ' A' ' 43' ' ' VAL . 1.2 m120 -153.46 160.69 42.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.666 HG23 ' OE1' ' A' ' 40' ' ' GLN . 4.0 m -154.34 36.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -147.11 144.26 19.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.53 54.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.374 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -176.76 179.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 64' ' ' GLY . 26.6 mt -96.29 142.87 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.97 139.7 53.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.597 HG22 HG12 ' A' ' 4' ' ' ILE . 9.5 pt -142.56 122.78 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.0 44.82 19.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 66.56 33.67 6.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -144.12 106.14 4.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -65.61 142.7 57.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.421 HG23 HG12 ' A' ' 57' ' ' ILE . 59.9 t -104.34 -56.78 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.98 -110.57 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.598 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -84.74 -177.55 51.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.428 ' HA ' HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -73.42 -61.72 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.26 -26.25 27.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -52.97 -55.25 24.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 55' ' ' ILE . 1.7 pp -56.78 -36.04 69.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -53.01 28.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.77 -52.8 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.14 -47.4 85.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -33.82 66.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -86.53 -20.28 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -80.44 -22.12 41.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.72 -3.14 3.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -80.94 1.97 28.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.577 ' HG ' HD13 ' A' ' 81' ' ' LEU . 2.1 tt -50.09 -44.34 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -52.93 -43.7 66.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.2 t -68.51 -52.23 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 84' ' ' VAL . 3.6 mm? -54.61 -51.45 65.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.635 HD21 ' HE3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -63.13 -41.22 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -67.49 -23.52 65.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -87.71 -44.44 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.634 HG12 ' HB ' ' A' ' 4' ' ' ILE . 15.0 m -74.47 -23.64 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.739 0.304 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -141.41 147.22 37.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.422 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -119.13 136.78 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.5 mt -134.5 150.98 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.41 114.82 20.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.507 ' CD1' HG21 ' A' ' 32' ' ' ILE . 96.6 m-85 -99.34 109.14 21.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.517 HG23 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -174.96 -179.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.202 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.496 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 4.9 ptp180 -88.86 155.77 49.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.0 22.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.232 . . . . 0.0 112.359 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 63.56 19.33 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.1 p -82.59 120.13 76.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -44.13 2.23 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -52.69 -35.61 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -55.79 -25.2 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -49.48 -41.67 41.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.81 -53.93 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.741 ' O ' HD22 ' A' ' 22' ' ' LEU . . . -59.24 -57.53 12.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -52.92 -35.47 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -70.03 -37.62 75.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.603 HD11 ' CD ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -63.43 -53.93 44.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.741 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -64.78 -45.53 85.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.68 -32.24 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -76.24 -36.47 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -71.49 -32.44 68.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.4 49.1 2.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.459 HG21 ' HB ' ' A' ' 84' ' ' VAL . 1.0 OUTLIER -126.98 175.33 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.08 108.76 19.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.522 ' HB2' HD21 ' A' ' 6' ' ' LEU . 32.6 p90 -101.67 145.71 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 66.6 m -105.26 128.37 53.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.4 138.1 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.507 HG21 ' CD1' ' A' ' 7' ' ' TYR . 24.0 mm -125.48 122.4 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -59.31 142.79 51.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -62.53 -16.94 58.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m -50.13 105.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -52.44 -27.46 16.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m -49.7 -31.68 11.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.2 mt -121.89 -33.7 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -63.84 -45.75 88.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -58.29 -40.69 82.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.84 -47.6 68.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -61.75 -52.28 64.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 50' ' ' ASN . 9.9 p -61.96 -33.92 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.38 -51.51 62.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -78.69 -10.65 59.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.44 -41.89 21.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 1.9 p-10 -130.58 -38.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.44 -47.26 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.496 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 11.8 ptm180 -170.76 161.4 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.429 ' HB3' HG11 ' A' ' 43' ' ' VAL . 5.0 t-20 -176.21 156.9 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 p -139.23 17.4 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -151.41 152.85 31.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.679 0.752 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.517 ' HB2' HG23 ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.73 154.55 67.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -174.65 178.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 mp -101.64 134.41 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.68 137.59 47.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.716 HD12 ' OD2' ' A' ' 83' ' ' ASP . 1.4 pp -149.12 129.26 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.16 56.6 6.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 49.28 34.11 5.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -140.85 112.73 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -73.55 123.1 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.7 t -86.9 -75.1 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.23 -105.07 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.3 163.1 37.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.81 -55.18 32.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.338 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.12 -26.25 37.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -52.61 -55.45 22.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.537 ' CD1' HD13 ' A' ' 21' ' ' LEU . 1.8 pp -56.2 -36.06 67.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -52.97 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.42 -51.75 61.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.51 -48.84 80.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.603 ' CD ' HD11 ' A' ' 21' ' ' LEU . 32.9 tt0 -56.74 -32.68 65.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -85.85 -21.89 27.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -22.0 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.92 -1.95 4.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.438 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.66 6.99 25.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HG ' HD13 ' A' ' 81' ' ' LEU . 1.4 tt -53.45 -43.03 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -53.46 -49.87 66.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.2 t -62.75 -50.97 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.14 -47.88 74.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.52 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -62.66 -38.76 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.07 -23.98 60.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.716 ' OD2' HD12 ' A' ' 57' ' ' ILE . 1.2 m-20 -83.89 -30.98 25.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.459 ' HB ' HG21 ' A' ' 27' ' ' VAL . 29.1 m -88.54 -25.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.756 0.313 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.37 146.76 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.682 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -104.52 137.24 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' N ' HD13 ' A' ' 4' ' ' ILE . 3.5 mt -131.43 123.62 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 6' ' ' LEU . 2.3 pp -103.5 122.78 45.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.569 ' CE2' HG23 ' A' ' 43' ' ' VAL . 95.6 m-85 -100.56 114.92 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.48 -178.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.509 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -86.49 161.71 47.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.858 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -7.11 20.21 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.703 2.269 . . . . 0.0 112.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -98.88 47.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -107.66 90.53 6.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.37 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -63.71 -27.01 68.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -53.63 -22.67 9.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -46.99 -33.88 5.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.16 -48.55 81.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -54.16 35.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -59.12 -31.21 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.82 -48.32 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.33 -45.38 91.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -62.69 -58.14 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -56.75 -38.6 72.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -66.31 -35.94 81.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -71.38 -31.84 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.61 44.85 1.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.84 168.96 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.98 104.57 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.429 ' HB3' HD23 ' A' ' 22' ' ' LEU . 32.3 p90 -95.63 142.26 28.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.442 ' HB ' HG23 ' A' ' 5' ' ' ILE . 52.2 m -107.02 124.47 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -91.29 112.12 23.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD12 ' HE2' ' A' ' 42' ' ' MET . 46.0 mm -95.04 117.57 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.01 143.68 54.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.23 -24.2 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -48.26 116.38 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.5 p -62.71 -23.29 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.567 ' C ' HD22 ' A' ' 38' ' ' LEU . 1.6 p -51.02 -31.87 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD22 ' C ' ' A' ' 37' ' ' SER . 4.4 mm? -123.98 -26.1 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -74.6 -43.02 57.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.45 -47.48 83.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -48.16 70.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.5 ' HE2' HD12 ' A' ' 32' ' ' ILE . 5.4 tpp -61.35 -50.15 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 7' ' ' TYR . 3.8 t -57.36 -49.68 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -53.99 -46.94 71.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -78.79 -10.41 59.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.92 -41.96 22.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -118.14 -43.57 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.37 -16.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -159.24 161.13 35.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -78.44 157.26 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 t -175.79 -171.48 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 11.3 p90 -59.94 157.67 29.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.1 Cg_endo -69.7 154.2 68.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -175.76 -178.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.442 HD13 ' C ' ' A' ' 64' ' ' GLY . 5.2 mp -94.54 112.76 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.16 141.25 28.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.682 HG22 ' CG1' ' A' ' 4' ' ' ILE . 1.1 pp -139.49 115.19 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.15 -98.04 0.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -128.95 29.95 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.833 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.442 ' HD2' HD11 ' A' ' 57' ' ' ILE . 52.2 t80 -142.69 147.22 35.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -107.34 106.11 16.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.7 t -53.79 -74.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.4 -55.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' C ' HD13 ' A' ' 55' ' ' ILE . . . -123.06 148.98 16.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -67.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -54.34 -26.35 29.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -52.61 -41.97 64.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.55 -36.78 84.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -52.9 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.12 -52.37 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.7 mt -59.46 -46.57 88.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.65 -42.67 75.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -80.82 -16.66 53.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.15 -22.33 36.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.26 -5.72 3.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.46 3.33 28.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.665 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -51.11 -43.13 61.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -45.15 69.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.8 t -68.52 -50.62 50.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.71 -52.32 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.665 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -60.81 -49.46 77.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -61.1 -24.31 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.531 ' CG ' HD12 ' A' ' 57' ' ' ILE . 2.9 m-20 -84.41 -63.46 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.4 m -52.84 -32.66 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.735 0.302 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.0 146.24 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.548 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -109.5 138.19 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 mt -132.95 151.92 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -130.41 114.21 15.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 8' ' ' THR . 96.4 m-85 -93.89 116.81 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -177.91 178.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -88.33 155.67 51.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.86 26.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.27 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 63.78 18.76 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.6 119.36 76.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -44.87 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.27 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -52.32 -34.89 49.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.6 m -54.78 -25.7 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -50.04 -36.89 30.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -66.09 -53.24 40.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.75 ' O ' HD22 ' A' ' 22' ' ' LEU . . . -62.92 -57.28 11.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -35.49 42.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.62 -40.03 73.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.61 HD13 ' CD1' ' A' ' 68' ' ' LEU . 3.3 tt -60.38 -54.01 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -65.09 -44.98 87.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.41 -28.7 69.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -77.54 -40.19 43.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -31.9 68.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.61 54.99 1.03 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -133.18 172.7 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.388 . . . . 0.0 111.121 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -110.97 97.49 6.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.588 ' CD1' HD21 ' A' ' 6' ' ' LEU . 42.4 p90 -88.28 139.71 30.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.3 m -98.53 124.6 43.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.0 125.71 39.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.1 mm -107.4 120.93 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -61.36 143.03 56.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -19.81 36.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 m -48.92 118.41 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.8 p -63.79 -24.08 67.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m -49.7 -31.6 11.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.7 mt -124.22 -35.44 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -61.65 -39.99 93.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -61.51 -40.59 95.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.26 -49.69 63.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -63.02 -52.09 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.658 HG22 HD21 ' A' ' 47' ' ' ASN . 6.2 p -60.14 -31.71 48.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.26 -50.38 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -77.68 -9.75 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.91 -41.17 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.658 HD21 HG22 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -129.63 -39.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.33 25.91 62.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -118.99 -14.43 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 51.18 89.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 -170.25 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.09 159.97 18.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.685 0.755 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.38 63.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.344 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.08 -179.24 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.3 mp -94.3 120.63 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.96 152.34 18.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.415 HD12 ' OD2' ' A' ' 83' ' ' ASP . 1.1 pt -149.0 104.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.36 -87.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -138.0 20.29 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -131.69 149.12 52.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -110.85 115.35 29.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.0 t -54.98 -73.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.13 -33.62 2.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.4 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -155.12 170.08 33.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.529 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 t -68.23 -66.75 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.734 0.302 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -55.07 -26.28 36.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -52.92 -55.17 25.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.61 ' CD1' HD13 ' A' ' 21' ' ' LEU . 1.8 pp -53.81 -36.39 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -52.78 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.67 -51.27 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.89 -46.77 88.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -55.78 -39.79 71.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -81.7 -20.59 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -78.62 -22.44 46.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.97 -2.21 4.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -81.85 1.69 33.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.804 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -51.44 -39.43 57.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.24 -49.39 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.2 t -68.28 -49.01 63.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 84' ' ' VAL . 4.1 mm? -54.42 -42.53 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.804 HD13 ' HG ' ' A' ' 77' ' ' LEU . 4.7 mp -72.28 -41.64 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.42 -26.63 68.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.958 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.415 ' OD2' HD12 ' A' ' 57' ' ' ILE . 28.2 m-20 -83.87 -53.81 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.548 HG12 ' HB ' ' A' ' 4' ' ' ILE . 22.8 m -62.52 -32.2 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -128.26 147.54 50.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.437 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -105.46 138.09 32.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.437 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.2 mt -133.25 122.03 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.643 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -104.67 128.25 52.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.46 ' CD1' HG21 ' A' ' 32' ' ' ILE . 97.0 m-85 -106.97 107.69 18.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.65 -178.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.464 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.29 156.48 54.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 169.31 19.2 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 66.88 11.23 8.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 p -61.49 111.34 4.18 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.616 0.722 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -41.76 4.04 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.759 2.306 . . . . 0.0 112.318 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -69.54 -43.14 73.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -22.88 51.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . 66.0 mttt -48.73 -32.78 9.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -65.51 -51.25 61.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.22 -54.03 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 11.6 ptp180 -60.17 -34.85 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.95 -48.94 76.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.493 HD11 ' OE1' ' A' ' 72' ' ' GLU . 1.2 tt -61.81 -45.82 92.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -57.44 -58.23 9.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -59.7 -32.03 70.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -67.81 -36.75 80.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -76.12 -32.32 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.02 57.64 0.72 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.549 HG21 ' HB ' ' A' ' 84' ' ' VAL . 1.7 m -135.8 170.42 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -109.22 106.36 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.643 ' CD1' HD21 ' A' ' 6' ' ' LEU . 34.2 p90 -96.77 145.88 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.0 m -105.1 119.59 39.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.0 111.29 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 7' ' ' TYR . 26.6 mm -95.92 121.47 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -55.94 142.41 35.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.464 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.91 -18.21 55.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.3 t -50.97 107.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.1 p -54.3 -25.74 25.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -51.06 -31.4 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mp -121.39 -30.4 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -70.0 -45.73 66.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -58.98 -45.9 89.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -68.32 -41.1 81.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -51.9 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.77 -35.3 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -62.03 -50.85 70.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -78.88 -14.3 59.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.84 -41.57 52.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.22 -47.18 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.5 -54.99 0.53 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -142.1 107.07 4.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -173.82 149.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 t -153.49 55.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -151.32 155.33 34.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.749 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 145.02 56.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.722 2.282 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.5 177.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 64' ' ' GLY . 5.1 mp -99.7 110.67 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.4 137.82 33.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 1.014 HD11 HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -146.44 118.25 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.53 44.48 22.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.449 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 t70 71.9 30.12 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 57' ' ' ILE . 85.0 t80 -133.44 111.0 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -85.24 130.58 34.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.014 HG23 HD11 ' A' ' 57' ' ' ILE . 43.3 t -98.47 -73.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.3 -84.04 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -86.45 153.33 26.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.0 p -70.53 -35.1 72.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -73.35 -26.29 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -52.84 -54.02 40.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.2 pp -52.9 -38.15 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.98 -52.64 26.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.43 71.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.518 HD23 ' NZ ' ' A' ' 74' ' ' LYS . 96.3 mt -61.44 -48.41 81.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' OE1' HD11 ' A' ' 21' ' ' LEU . 35.3 tt0 -56.12 -35.71 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -85.07 -19.5 31.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.518 ' NZ ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -81.42 -22.12 38.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.62 -2.4 4.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.426 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -89.64 13.01 15.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.69 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.43 -41.0 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -53.47 -47.16 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.8 t -67.64 -50.21 59.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.51 -52.42 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.69 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -61.28 -44.63 96.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.16 -31.49 69.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -76.27 -60.32 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.549 ' HB ' HG21 ' A' ' 27' ' ' VAL . 33.8 m -53.46 -34.08 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.737 0.303 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -130.08 147.66 51.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.628 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -108.65 137.65 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.2 mt -134.16 129.11 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 6' ' ' LEU . 2.6 pp -105.88 121.71 44.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.549 ' CD1' HG21 ' A' ' 32' ' ' ILE . 97.3 m-85 -105.3 112.23 25.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.05 179.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.146 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.82 158.3 50.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.889 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.81 -7.9 22.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -97.72 32.6 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.4 t -107.84 91.68 7.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.09 24.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.8 -14.95 63.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.91 -21.26 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -47.38 -33.77 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -62.28 -54.48 40.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HA ' HD21 ' A' ' 68' ' ' LEU . . . -61.11 -56.91 15.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -53.11 -32.25 46.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.23 -40.23 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.717 HD23 ' CE1' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -62.23 -45.03 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.676 HD13 ' HB3' ' A' ' 29' ' ' TYR . 10.5 mt -68.9 -50.68 47.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.33 -26.96 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -77.28 -40.54 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.764 ' HE3' HD11 ' A' ' 81' ' ' LEU . 5.0 mptp? -71.18 -31.96 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.61 54.88 1.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.438 HG21 ' HB ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -128.96 175.8 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 111.151 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.54 106.62 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.676 ' HB3' HD13 ' A' ' 22' ' ' LEU . 43.4 p90 -100.11 144.32 29.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.401 ' HB ' HG23 ' A' ' 5' ' ' ILE . 52.3 m -103.19 123.51 46.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -87.23 126.67 34.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 7' ' ' TYR . 22.9 mm -116.91 120.17 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.18 143.33 55.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -59.82 -18.35 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -49.11 112.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.8 p -60.85 -24.59 66.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.425 ' C ' HD22 ' A' ' 38' ' ' LEU . 1.1 p -49.37 -31.54 9.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD22 ' C ' ' A' ' 37' ' ' SER . 4.4 mm? -124.22 -36.14 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.544 ' O ' HG12 ' A' ' 43' ' ' VAL . 11.2 ttp180 -61.61 -42.4 98.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.1 -38.0 75.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -70.75 -51.54 26.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -59.03 -51.46 69.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 39' ' ' ARG . 7.7 p -62.4 -35.56 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.19 -50.61 72.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -10.83 59.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.71 -42.53 28.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -114.02 -38.54 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 147.04 -40.98 0.98 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -142.6 147.52 35.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -51.41 157.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.55 -178.6 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 10.1 p90 -60.14 155.36 45.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.4 Cg_endo -69.69 154.63 67.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 0.0 112.371 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -174.42 -178.11 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 64' ' ' GLY . 21.6 mt -94.79 115.34 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.36 139.44 31.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.628 HG22 ' CG1' ' A' ' 4' ' ' ILE . 9.8 pt -141.51 121.47 11.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.34 44.72 28.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 66.77 31.51 7.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -141.44 104.9 4.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -63.59 142.96 58.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.525 HG23 HG12 ' A' ' 57' ' ' ILE . 85.9 t -107.04 -66.91 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.01 -82.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.573 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -115.33 -176.18 18.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.1 m -74.96 -56.36 4.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -54.32 -26.53 30.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.18 -54.6 33.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 18' ' ' ALA . 1.4 pp -57.82 -35.37 70.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.717 ' CE1' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -68.24 -53.19 26.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -48.07 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.97 -45.54 88.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -56.61 -36.11 69.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -86.36 -22.26 26.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.45 -22.74 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.27 -2.73 6.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.61 7.0 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.723 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -54.35 -40.01 67.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.409 ' N ' HD23 ' A' ' 77' ' ' LEU . 1.3 m-20 -54.43 -49.89 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.9 t -64.92 -49.44 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.79 -50.22 69.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.764 HD11 ' HE3' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -65.16 -35.8 82.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.09 -27.47 65.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -81.0 -44.84 17.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' A' ' 81' ' ' LEU . 32.7 m -73.22 -28.27 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -142.16 146.31 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.675 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -106.42 137.37 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.658 HG23 ' HB ' ' A' ' 30' ' ' THR . 5.3 mt -133.2 118.65 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 29' ' ' TYR . 2.5 pp -99.4 124.17 44.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 8' ' ' THR . 85.3 m-85 -99.57 106.23 18.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 177.35 -179.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.161 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.787 ' HD2' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -113.66 158.16 39.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.913 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.74 -2.58 10.4 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.62 2.213 . . . . 0.0 112.377 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -71.92 -54.48 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 p -58.89 120.42 46.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.615 0.721 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -38.81 7.22 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -38.06 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.9 m -53.73 -26.09 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . 18.7 mttm -52.22 -32.75 38.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -63.68 -52.44 60.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.701 ' O ' HD22 ' A' ' 22' ' ' LEU . . . -58.79 -57.72 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 14.4 ptp180 -54.34 -36.08 63.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.49 -37.2 79.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.686 HD11 ' OE1' ' A' ' 72' ' ' GLU . 4.8 tt -61.59 -54.42 43.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -61.43 -48.14 82.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.11 -27.02 69.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -41.58 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.647 ' HE2' HD13 ' A' ' 81' ' ' LEU . 25.0 mmmt -71.04 -32.01 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.34 54.79 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.48 170.92 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 92.69 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' HD21 ' A' ' 6' ' ' LEU . 28.5 p90 -85.22 143.85 28.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.658 ' HB ' HG23 ' A' ' 5' ' ' ILE . 85.9 m -98.3 111.12 23.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.48 112.0 19.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mm -94.85 123.39 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.88 143.54 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.787 ' HB2' ' HD2' ' A' ' 9' ' ' ARG . . . -52.98 -23.11 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 m -48.82 104.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.6 p -57.56 -23.58 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' HD22 ' A' ' 38' ' ' LEU . 5.5 p -49.93 -31.63 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 37' ' ' SER . 4.1 mm? -123.32 -33.57 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -42.62 91.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -63.6 -43.3 97.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.42 -42.09 88.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.2 tpp -68.43 -51.57 42.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.77 -30.42 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -74.31 -45.97 44.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -78.5 -10.9 59.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.26 -40.82 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.669 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -105.35 -46.95 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.54 -35.64 2.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.669 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 35.6 ttm180 -177.13 89.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -120.0 157.35 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.0 t -147.59 27.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -151.74 147.4 20.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.03 55.76 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.68 177.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.7 mp -97.42 116.8 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.12 144.1 26.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.564 HG22 HG12 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -142.68 110.75 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.6 -92.4 0.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -134.25 24.06 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.333 . . . . 0.0 110.836 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.404 ' HD2' HD11 ' A' ' 57' ' ' ILE . 55.9 t80 -136.33 147.27 47.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -108.94 110.68 22.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.2 t -51.34 -74.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.93 -49.67 0.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -149.22 167.74 29.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.7 p -63.78 -38.88 92.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.74 -26.38 57.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -59.85 -55.56 32.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.636 ' CD1' HD13 ' A' ' 21' ' ' LEU . 2.1 pp -54.67 -38.33 66.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.536 ' CE1' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -66.96 -53.41 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.67 -48.33 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.75 HD22 ' HG2' ' A' ' 76' ' ' LYS . 10.6 mt -59.36 -49.37 78.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.686 ' OE1' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -56.93 -32.01 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -83.82 -25.0 30.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -78.72 -22.28 46.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.22 -0.43 4.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.75 ' HG2' HD22 ' A' ' 71' ' ' LEU . 4.3 mptp? -85.26 6.25 26.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.04 -46.77 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -50.58 -41.77 54.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -70.61 -47.91 57.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.02 -52.55 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.647 HD13 ' HE2' ' A' ' 25' ' ' LYS . 6.0 mt -63.28 -43.3 98.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -58.5 -34.23 70.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -75.93 -62.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.675 HG12 ' HB ' ' A' ' 4' ' ' ILE . 32.7 m -53.15 -32.51 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.779 0.323 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -131.41 145.87 52.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.622 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -115.3 137.27 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.543 HG23 ' HB ' ' A' ' 30' ' ' THR . 4.6 mt -132.31 123.88 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.642 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -100.93 127.36 47.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.536 ' CE1' HG21 ' A' ' 32' ' ' ILE . 92.3 m-85 -107.05 112.52 25.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -176.45 -179.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 4.9 ptp180 -90.63 158.23 43.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.638 0.732 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -101.66 33.68 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.7 t -106.96 94.13 10.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.633 0.73 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.34 23.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.389 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -13.09 61.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.1 m -74.06 -22.56 59.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -47.96 -33.64 8.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -64.28 -54.82 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -57.88 -57.5 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -53.76 -36.06 61.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -64.5 -40.34 95.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.608 HD21 ' OE2' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -63.93 -49.37 72.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 29' ' ' TYR . 14.3 mt -58.5 -56.29 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -59.47 -31.77 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -66.02 -41.79 90.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -72.02 -32.38 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.41 52.06 1.09 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -128.23 172.82 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.964 0.411 . . . . 0.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 113.52 27.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.642 ' CD1' HD21 ' A' ' 6' ' ' LEU . 36.9 p90 -105.01 143.81 32.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.543 ' HB ' HG23 ' A' ' 5' ' ' ILE . 61.8 m -104.72 117.33 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.141 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -84.23 119.28 24.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 7' ' ' TYR . 46.4 mm -107.53 119.26 56.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -66.75 143.8 56.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.7 -19.42 26.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -47.25 105.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -53.66 -25.52 18.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.7 m -49.56 -31.69 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.1 mt -123.47 -35.17 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -37.52 79.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.87 -41.71 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -66.83 -45.6 77.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.3 mmt -66.58 -52.24 47.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.32 -32.05 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -70.63 -50.59 35.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -74.16 -10.42 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.35 -40.76 11.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -136.43 -34.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.21 49.85 2.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -175.58 138.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -93.31 134.35 35.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.04 -170.24 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -60.19 160.63 16.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 8' ' ' THR . 53.1 Cg_endo -69.82 142.96 49.09 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.638 2.226 . . . . 0.0 112.363 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -153.78 179.62 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.2 mp -99.86 116.37 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.35 132.65 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.604 HG22 HG12 ' A' ' 4' ' ' ILE . 14.7 pt -138.06 130.21 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.81 51.36 10.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 55.55 34.09 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -142.73 108.65 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -63.62 138.02 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.422 HG21 HD13 ' A' ' 57' ' ' ILE . 94.8 t -105.77 -69.75 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.9 -123.89 1.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -82.63 173.2 52.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.1 m -58.95 -61.79 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.36 -26.41 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -52.79 -55.31 23.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.418 HD21 ' CB ' ' A' ' 18' ' ' ALA . 1.7 pp -56.33 -36.49 68.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CE1' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -66.81 -53.2 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.87 59.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.88 -48.06 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.608 ' OE2' HD21 ' A' ' 21' ' ' LEU . 36.0 tt0 -56.78 -34.14 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -83.27 -22.68 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -79.74 -22.24 43.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.56 -1.06 4.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -85.02 5.12 30.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.4 ' C ' HD23 ' A' ' 77' ' ' LEU . 5.4 tt -51.87 -48.58 63.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.78 -41.82 57.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.8 t -68.43 -48.51 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.514 HD13 ' CD1' ' A' ' 57' ' ' ILE . 3.9 mm? -58.9 -52.87 63.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.467 ' HA ' HG22 ' A' ' 84' ' ' VAL . 6.3 mt -61.08 -39.42 89.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -71.84 -22.67 61.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -86.52 -33.41 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' A' ' 4' ' ' ILE . 32.4 m -87.44 -24.77 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.713 0.292 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.99 147.01 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.656 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -108.54 137.63 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.5 mt -134.34 150.64 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.479 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.99 114.03 18.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 8' ' ' THR . 94.0 m-85 -95.66 107.38 19.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.73 -178.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -87.1 155.93 54.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.72 . . . . 0.0 110.842 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -93.77 52.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 7.9 p -123.97 98.47 39.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.663 0.744 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.2 Cg_endo -69.76 -7.32 20.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.5 -20.49 18.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 m -54.76 -25.77 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -50.13 -36.79 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -64.13 -50.58 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.4 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -60.63 -31.08 70.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.57 -49.11 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.534 HD23 ' N ' ' A' ' 22' ' ' LEU . 2.4 tt -61.29 -52.41 64.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 4' ' ' ILE . 2.5 mt -59.21 -56.42 22.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.03 -29.71 60.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -40.63 75.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -70.91 -31.88 68.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.17 54.09 0.86 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.444 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG11 HG23 ' A' ' 84' ' ' VAL . 1.2 m -131.54 166.06 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -105.6 107.58 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.479 ' HB2' HD21 ' A' ' 6' ' ' LEU . 42.4 p90 -94.96 145.67 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.6 m -110.44 120.37 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.86 126.0 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.428 HD12 ' CE ' ' A' ' 42' ' ' MET . 30.5 mm -111.53 117.74 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -53.09 143.54 17.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.56 -17.86 48.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 m -48.74 110.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -63.43 -24.27 67.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.6 p -49.62 -31.48 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 mt -125.32 -35.13 2.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.529 ' O ' HG12 ' A' ' 43' ' ' VAL . 9.7 tmm_? -61.55 -35.74 78.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.55 -41.22 93.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.06 -35.63 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.428 ' CE ' HD12 ' A' ' 32' ' ' ILE . 1.9 tpp -73.92 -50.78 18.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 39' ' ' ARG . 10.7 p -61.43 -37.35 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -75.86 -35.02 60.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -79.62 -15.63 57.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -40.89 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -39.48 9.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.87 -74.76 0.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -106.65 127.91 53.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -49.93 139.73 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.8 -169.87 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -60.18 161.03 14.15 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.54 179.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.42 116.85 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.93 136.79 34.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.656 HG22 ' CG1' ' A' ' 4' ' ' ILE . 13.9 pt -140.72 122.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.34 43.61 26.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 66.55 31.85 7.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -140.16 108.38 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -63.83 142.51 58.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.89 -31.58 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.24 -73.74 0.38 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.14 150.77 17.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -35.46 76.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.29 -26.36 65.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -36.93 77.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -68.53 -34.96 76.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 12.8 m-85 -72.75 -53.18 12.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.0 86.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.061 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 76' ' ' LYS . 27.0 mt -65.84 -53.08 44.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG2' HD12 ' A' ' 77' ' ' LEU . 4.1 tm-20 -55.49 -37.81 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -82.21 -21.24 36.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -22.74 42.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.72 -3.25 4.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.502 ' HG2' HD22 ' A' ' 71' ' ' LEU . 4.9 mptp? -80.85 2.31 26.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.574 HD12 ' HG2' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -50.18 -43.99 52.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.932 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.86 -49.98 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.5 t -65.83 -40.83 92.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.564 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.5 mm? -61.07 -44.79 96.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.473 ' HA ' HG22 ' A' ' 84' ' ' VAL . 5.0 mt -65.92 -43.02 89.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -71.68 -20.93 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.23 -34.32 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.626 HG23 HG11 ' A' ' 27' ' ' VAL . 32.4 m -85.97 -20.69 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.714 0.293 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.0 146.68 34.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.636 HD12 HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -109.93 137.06 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.2 mt -129.74 148.41 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 29' ' ' TYR . 4.1 mt -115.54 139.27 50.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -123.2 106.52 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.437 ' C ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -176.46 -178.25 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -86.49 156.82 56.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.882 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.73 -7.63 21.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -96.17 48.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 p -114.19 94.98 37.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.63 21.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.18 -11.53 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.76 -25.9 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -50.15 -35.6 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.1 mmt-85 -64.05 -50.04 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.51 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -61.55 -30.86 70.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.07 -49.74 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.694 HD21 ' CD ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -61.73 -53.21 59.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.769 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -56.86 -56.99 14.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.22 -44.5 79.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -55.49 -41.04 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.736 ' HE3' HD11 ' A' ' 81' ' ' LEU . 4.6 mptp? -71.36 -33.0 69.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.8 52.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.662 HG11 HG23 ' A' ' 84' ' ' VAL . 7.5 m -129.24 -176.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.115 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -122.35 109.96 15.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.769 ' HB3' HD23 ' A' ' 22' ' ' LEU . 31.6 p90 -100.43 141.57 33.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.1 m -110.39 110.75 21.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -78.07 136.93 37.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mm -121.16 120.99 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.89 144.46 38.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HB2' ' C ' ' A' ' 8' ' ' THR . . . -76.41 59.43 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -127.16 105.52 8.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 p -47.21 -29.03 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.69 -31.53 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.91 -38.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' HG12 ' A' ' 43' ' ' VAL . 9.3 ttp180 -57.97 -33.14 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -62.36 -44.06 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -69.75 -44.9 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -52.58 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 50' ' ' ASN . 6.8 p -62.44 -32.75 56.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -65.71 -51.18 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -78.74 -10.59 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.87 -41.75 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 2.1 p-10 -132.21 -36.72 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.5 -55.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 31.6 ttm180 -173.34 124.41 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.565 ' HB3' HG21 ' A' ' 43' ' ' VAL . 10.6 t-20 -139.78 172.9 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 51' ' ' THR . 3.8 m -158.29 30.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.401 ' N ' HH22 ' A' ' 39' ' ' ARG . 53.8 m-85 -151.61 151.45 28.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.78 52.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.748 2.298 . . . . 0.0 112.366 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -178.21 178.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.53 131.84 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' O ' HD13 ' A' ' 57' ' ' ILE . 1.8 t80 -102.92 135.74 44.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.651 HG22 ' HB3' ' A' ' 83' ' ' ASP . 10.0 mm -123.49 101.64 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 52.45 -101.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -114.71 37.09 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.485 ' HE2' HG22 ' A' ' 62' ' ' VAL . 11.2 t80 -149.01 147.44 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -109.96 118.93 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.602 HG23 HG12 ' A' ' 57' ' ' ILE . 89.2 t -72.48 -74.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.6 -47.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.3 144.69 16.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.2 p -64.94 -36.8 85.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -68.0 -26.15 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -36.54 76.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -70.05 -35.75 74.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.42 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 12.5 m-85 -71.41 -53.39 14.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.07 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.645 HD22 ' HG3' ' A' ' 76' ' ' LYS . 34.9 mt -59.95 -49.15 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.694 ' CD ' HD21 ' A' ' 21' ' ' LEU . 27.5 tt0 -56.12 -42.07 76.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.7 -20.68 53.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -23.0 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.13 -7.34 3.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.645 ' HG3' HD22 ' A' ' 71' ' ' LEU . 34.5 mmtm -77.89 -1.53 32.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -50.71 -40.61 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -55.11 -50.0 70.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.9 t -68.32 -47.02 68.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.617 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.2 mm? -54.64 -51.79 64.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.8 HD13 ' HG ' ' A' ' 77' ' ' LEU . 1.7 mp -63.89 -46.64 83.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -61.2 -24.92 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.651 ' HB3' HG22 ' A' ' 57' ' ' ILE . 90.5 m-20 -87.0 -62.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.662 HG23 HG11 ' A' ' 27' ' ' VAL . 31.9 m -52.04 -31.58 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.443 ' HA ' HG12 ' A' ' 27' ' ' VAL . 3.1 m170 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mptt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.775 0.322 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.06 147.06 44.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.611 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -112.33 138.01 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.7 mt -132.78 151.15 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.34 114.0 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 8' ' ' THR . 96.0 m-85 -96.21 107.48 19.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.41 -178.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.539 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 21.4 ptt-85 -86.87 156.88 55.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.71 -6.89 19.65 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -100.25 53.54 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 8.3 p -120.76 101.49 45.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.79 -7.84 22.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -92.19 -25.79 18.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.7 m -55.84 -25.35 41.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -49.67 -39.72 37.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -64.46 -53.74 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.26 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -57.25 -33.9 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -69.11 -39.9 78.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.646 HD22 ' CD1' ' A' ' 68' ' ' LEU . 3.6 tp -65.07 -46.5 80.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.612 HD13 ' HB3' ' A' ' 29' ' ' TYR . 4.6 mt -68.06 -47.85 67.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -63.07 -29.38 70.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -76.31 -39.0 55.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.674 ' CE ' HD11 ' A' ' 81' ' ' LEU . 11.3 mmtt -71.54 -32.0 67.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.15 49.84 1.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -125.16 172.65 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 111.109 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.12 105.73 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.612 ' HB3' HD13 ' A' ' 22' ' ' LEU . 38.2 p90 -97.47 144.63 27.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.2 m -107.88 117.73 34.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.44 121.43 27.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.408 HG21 ' CD1' ' A' ' 7' ' ' TYR . 28.9 mm -106.92 118.96 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.35 143.18 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.539 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.88 -17.54 51.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 t -49.6 104.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.0 p -54.45 -26.23 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.5 m -49.73 -31.4 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tp -121.9 -35.05 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -46.8 81.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -41.1 71.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -68.24 -49.47 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.3 -51.81 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.11 -33.73 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -61.94 -51.44 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.03 -12.7 59.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.15 -41.6 41.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.46 -43.96 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.13 27.92 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -176.24 173.21 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.81 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -145.3 143.21 30.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.75 -70.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -130.2 153.48 81.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.02 28.96 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.728 2.286 . . . . 0.0 112.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.73 178.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 64' ' ' GLY . 4.6 mp -97.35 118.73 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.97 139.97 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.611 HG22 ' CG1' ' A' ' 4' ' ' ILE . 11.5 pt -141.92 120.93 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.68 43.24 29.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 67.73 31.43 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -140.7 108.04 5.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -63.03 142.91 58.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.448 HG23 HG12 ' A' ' 57' ' ' ILE . 99.3 t -101.73 -69.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.6 -68.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.614 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -135.25 -174.84 13.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.434 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.28 -64.41 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -55.25 -25.72 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.53 -55.28 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.646 ' CD1' HD22 ' A' ' 21' ' ' LEU . 2.1 pp -52.08 -37.96 55.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.595 ' CE1' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.55 -51.04 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.01 82.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.82 -56.18 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.635 ' OE1' HD21 ' A' ' 21' ' ' LEU . 19.2 pt-20 -57.34 -27.8 62.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -86.43 -23.82 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -22.43 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.76 -1.2 4.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.91 11.33 16.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.715 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -56.21 -39.69 72.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.72 -49.88 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.9 t -65.04 -49.21 71.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -54.9 -51.86 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.715 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -61.32 -39.74 91.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -70.22 -23.43 62.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -85.3 -40.54 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 81' ' ' LEU . 33.7 m -77.96 -33.4 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 m170 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.718 0.294 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.6 148.17 37.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.606 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -106.4 137.71 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.585 HG23 ' HB ' ' A' ' 30' ' ' THR . 5.4 mt -138.94 114.5 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.03 130.56 35.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' HG23 ' A' ' 8' ' ' THR . 63.0 m-85 -107.15 107.43 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 179.91 173.89 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -87.57 156.61 53.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.09 7.25 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 65.72 13.56 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.3 p -84.96 114.56 56.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -16.17 37.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -78.13 -35.4 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.3 m -62.55 -24.73 67.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -49.35 -40.17 34.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -65.09 -53.3 47.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.29 -54.25 49.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -58.98 -33.98 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.29 -49.09 73.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 21' ' ' LEU . 9.9 tt -61.37 -47.58 85.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -58.68 -58.25 9.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.11 -37.33 69.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -65.17 -37.63 87.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' HG2' HD22 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -72.26 -32.41 66.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.52 46.5 1.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -126.69 171.8 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 111.104 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.57 106.56 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.655 ' HB3' HD23 ' A' ' 22' ' ' LEU . 36.0 p90 -92.73 145.93 24.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' HG23 ' A' ' 5' ' ' ILE . 55.1 m -105.34 124.67 49.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.26 122.87 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CE1' ' A' ' 7' ' ' TYR . 31.8 mm -109.18 116.67 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -63.38 143.72 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.65 -23.13 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.6 m -47.7 109.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -53.27 -25.72 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 t -49.24 -32.09 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 tp -125.59 -33.16 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.561 HH22 ' N ' ' A' ' 52' ' ' PHE . 1.4 tpt180 -65.56 -40.97 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -72.74 -44.28 61.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -66.72 -42.04 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.43 ' CE ' HD12 ' A' ' 32' ' ' ILE . 12.3 tpp -67.74 -52.31 38.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 p -61.51 -30.11 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.39 -48.31 42.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -78.33 -9.93 59.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 -40.73 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.668 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -111.03 -45.0 3.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.26 -38.52 1.85 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.668 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -175.49 105.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.851 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -152.85 154.78 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 t -146.79 17.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' N ' HH22 ' A' ' 39' ' ' ARG . 25.0 m-85 -117.23 148.27 42.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.86 46.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.74 178.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.542 HD13 HD23 ' A' ' 68' ' ' LEU . 8.4 mt -108.97 125.23 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.56 135.86 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.535 HG22 HG12 ' A' ' 4' ' ' ILE . 7.0 pt -144.52 122.93 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.42 42.89 19.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 66.72 34.26 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -142.77 112.83 7.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -68.94 142.63 54.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.465 HG23 HG12 ' A' ' 57' ' ' ILE . 94.5 t -109.63 -70.5 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.1 -134.14 5.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.527 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -57.01 -179.25 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.518 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.518 ' HA ' HD11 ' A' ' 55' ' ' ILE . 3.9 m -76.34 -56.54 4.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -54.99 -25.82 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.58 -55.14 24.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.542 HD23 HD13 ' A' ' 55' ' ' ILE . 1.9 pp -53.93 -37.6 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -52.88 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.05 -52.53 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.43 -46.68 86.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -56.12 -39.6 72.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -80.94 -20.35 42.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -22.46 42.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.08 -4.48 3.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -79.15 -0.35 31.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.466 HD11 HD11 ' A' ' 81' ' ' LEU . 1.8 tp -49.32 -46.94 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -53.08 -43.8 67.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 t -72.58 -52.86 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 57' ' ' ILE . 2.9 mm? -53.37 -52.99 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.485 HD22 ' HG2' ' A' ' 25' ' ' LYS . 30.9 mt -61.11 -51.64 68.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -59.23 -22.34 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -82.3 -52.46 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.606 HG12 ' HB ' ' A' ' 4' ' ' ILE . 18.3 m -65.52 -22.78 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.721 0.296 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.15 144.56 47.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.761 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -96.66 138.36 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.0 mt -133.6 150.95 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -128.71 114.62 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 8' ' ' THR . 97.3 m-85 -94.8 110.68 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.63 -178.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.486 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 11.2 ptm180 -87.15 158.92 52.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.81 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -106.19 55.89 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 5.3 p -113.72 98.53 47.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.74 -6.92 19.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -102.62 -41.47 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -54.58 -23.25 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -48.61 -39.15 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -62.36 -40.15 95.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.576 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -64.56 -54.6 29.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.449 ' HA ' HD12 ' A' ' 22' ' ' LEU . 16.8 ptm180 -59.18 -32.09 69.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -71.43 -43.24 67.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.666 HD11 ' HG3' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -61.38 -48.77 79.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.527 HD22 HG21 ' A' ' 4' ' ' ILE . 1.2 mt -65.0 -57.23 9.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -52.51 -35.51 53.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -77.81 -28.41 50.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -31.89 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.69 54.24 0.65 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.584 HG21 ' HB ' ' A' ' 84' ' ' VAL . 3.1 m -146.46 177.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.353 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -118.6 106.21 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.565 ' CD1' HD21 ' A' ' 6' ' ' LEU . 37.1 p90 -92.34 145.37 24.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.7 m -104.97 115.76 30.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -84.83 125.56 32.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.424 HG21 ' CD1' ' A' ' 7' ' ' TYR . 50.9 mm -109.36 117.35 54.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.6 142.81 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.48 -18.54 52.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -50.91 114.74 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.584 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 68.5 p -66.48 -24.74 66.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 p -49.9 -31.45 12.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -123.18 -35.21 3.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' CZ ' HG22 ' A' ' 36' ' ' THR . 6.0 ttp180 -61.41 -39.95 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -58.78 -40.04 82.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -70.75 -49.62 44.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.421 ' CE ' HD12 ' A' ' 32' ' ' ILE . 5.8 tpp -59.73 -51.46 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 39' ' ' ARG . 8.5 p -63.21 -35.04 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -61.48 -50.19 73.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -81.33 -11.35 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.4 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -113.53 -38.62 4.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.23 23.71 3.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -174.97 165.76 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.67 132.73 50.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.64 -170.61 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.42 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 10.6 p90 -59.63 157.8 25.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 53.3 Cg_endo -69.77 159.05 54.84 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.249 . . . . 0.0 112.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -175.02 -178.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.53 HD13 ' O ' ' A' ' 64' ' ' GLY . 5.4 mp -94.17 119.15 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.29 148.9 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.8 mt -137.28 91.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.78 -86.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -130.44 15.39 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -128.97 129.92 46.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -99.49 116.73 32.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.72 -74.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.95 -8.65 7.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.53 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -174.9 169.03 41.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.8 m -82.35 -51.7 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.36 -25.37 23.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.5 -40.67 66.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -69.61 -37.37 76.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.429 ' CD1' HD11 ' A' ' 68' ' ' LEU . 16.7 m-85 -71.77 -52.9 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.12 -52.27 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 ' HE2' ' A' ' 74' ' ' LYS . 79.7 mt -57.86 -47.44 82.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.666 ' HG3' HD11 ' A' ' 21' ' ' LEU . 6.6 tm-20 -56.41 -39.32 72.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -85.3 -12.32 52.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.496 ' HE2' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -86.27 -22.87 26.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.33 -6.73 3.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HG3' HD22 ' A' ' 71' ' ' LEU . 40.0 mmtt -77.09 -2.16 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -52.48 -43.53 65.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -51.75 -44.7 63.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -68.76 -50.06 53.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.683 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.9 mm? -54.73 -47.55 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.12 -47.39 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -61.64 -24.96 67.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -86.36 -62.21 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.761 HG12 ' HB ' ' A' ' 4' ' ' ILE . 27.7 m -52.01 -30.7 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.182 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.0 m170 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 121.411 0.45 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 170.02 17.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -85.87 -177.31 50.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 18.9 m -160.71 119.4 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 ptm -132.66 133.9 44.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.53 178.03 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.94 146.7 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.628 HG12 HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -104.04 137.68 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.1 mt -131.46 126.31 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.62 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -106.81 126.34 52.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 8' ' ' THR . 97.1 m-85 -105.34 107.58 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 179.98 -179.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.095 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 20.8 ptt180 -87.61 158.69 50.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.79 -8.19 22.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.336 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -100.75 54.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 4.9 p -114.84 98.25 49.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.83 -6.35 18.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -103.59 -40.96 6.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.4 p -55.0 -23.48 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -48.68 -32.75 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -66.12 -47.05 75.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -61.82 -54.07 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.04 -36.23 76.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.1 -48.55 78.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD12 ' CE1' ' A' ' 69' ' ' TYR . 7.0 tt -60.55 -46.62 89.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -56.59 -58.05 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -58.86 -31.61 68.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -67.4 -40.16 85.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.807 ' HE3' HD11 ' A' ' 81' ' ' LEU . 19.0 mmtt -72.0 -32.09 66.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.95 47.08 1.29 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG11 HG23 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -123.15 174.24 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 111.12 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.45 111.04 22.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.62 ' CD1' HD21 ' A' ' 6' ' ' LEU . 35.6 p90 -103.59 138.33 40.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.443 ' HB ' HG23 ' A' ' 5' ' ' ILE . 89.7 m -100.81 118.16 36.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -87.1 111.51 20.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG21 ' CD1' ' A' ' 7' ' ' TYR . 31.4 mm -97.61 121.83 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -58.32 143.2 45.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.14 -20.65 27.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 p -49.58 106.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.52 HG22 ' HE ' ' A' ' 39' ' ' ARG . 63.6 p -56.01 -24.65 40.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -50.91 -31.41 17.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.06 -29.97 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.52 ' HE ' HG22 ' A' ' 36' ' ' THR . 5.0 tmm_? -70.07 -44.3 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -59.95 -45.99 90.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.05 -41.99 81.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -52.65 60.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.01 -34.47 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.75 -49.87 73.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.43 -11.07 59.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.32 -42.68 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -113.32 -38.24 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.99 -35.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -170.04 113.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -174.49 153.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 t -153.07 53.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -150.18 157.94 36.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.9 41.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.27 175.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.519 HD13 ' C ' ' A' ' 64' ' ' GLY . 5.0 mp -102.89 113.09 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.3 140.82 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.628 HG22 HG12 ' A' ' 4' ' ' ILE . 1.1 pp -140.81 113.44 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.04 -96.98 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.525 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -129.26 30.99 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.4 ' HD2' HD11 ' A' ' 57' ' ' ILE . 59.1 t80 -142.95 147.14 34.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -111.2 105.05 13.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.33 -73.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.34 -75.26 0.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.519 ' C ' HD13 ' A' ' 55' ' ' ILE . . . -95.27 160.74 23.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 43.3 t -70.87 -60.31 2.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.02 -26.05 34.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.47 -51.34 59.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 18' ' ' ALA . 1.9 pp -57.71 -36.55 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE1' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.33 -52.97 27.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.16 -52.54 62.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.92 -48.32 81.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -56.57 -34.62 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -84.07 -21.45 31.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 -22.01 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.44 -2.84 3.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -84.17 4.56 29.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.68 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -51.85 -41.65 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -53.52 -47.33 70.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 t -66.76 -50.32 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.72 -52.32 62.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.807 HD11 ' HE3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -62.42 -39.54 93.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -67.9 -25.33 65.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -85.09 -49.18 8.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.506 HG23 HG11 ' A' ' 27' ' ' VAL . 27.6 m -68.58 -26.58 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 121.45 0.472 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 136.21 32.61 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -153.98 120.18 1.01 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.2 m -74.25 158.2 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.356 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 tpp -125.12 -43.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -98.21 150.55 21.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.43 146.24 41.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.569 HG13 HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -111.21 137.82 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.1 mt -130.68 145.11 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -120.41 114.29 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' HG23 ' A' ' 8' ' ' THR . 93.7 m-85 -94.61 113.56 25.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.49 179.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.91 156.5 52.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.76 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -98.07 52.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 p -116.27 96.05 46.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -8.01 22.49 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -99.18 -12.18 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 m -54.28 -24.26 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -48.84 -39.58 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.2 mtt-85 -61.88 -54.56 40.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -58.17 9.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -54.43 -31.53 55.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.54 -43.94 75.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.754 HD11 ' HG3' ' A' ' 72' ' ' GLU . 7.6 tt -61.4 -53.27 58.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 29' ' ' TYR . 9.7 mt -62.01 -51.48 67.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.93 -38.65 76.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -64.55 -39.13 93.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -32.58 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.42 45.65 3.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.2 176.17 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.945 0.402 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -106.67 114.41 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.603 ' HB2' HD21 ' A' ' 6' ' ' LEU . 40.0 p90 -106.94 146.97 30.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.012 0.434 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.7 m -115.99 117.24 29.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -82.63 133.62 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -119.34 120.46 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -53.56 143.51 19.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -59.16 -18.95 40.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -50.24 104.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.403 HG22 ' NH2' ' A' ' 39' ' ' ARG . 73.2 p -52.55 -27.44 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t -50.83 -30.72 15.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.8 mt -120.2 -34.08 3.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' NH2' HG22 ' A' ' 36' ' ' THR . 39.1 ttp85 -66.86 -48.6 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -59.32 -41.67 89.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.28 -45.81 79.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.56 -52.01 59.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 50' ' ' ASN . 10.0 p -61.49 -31.41 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -48.59 59.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -78.95 -11.05 59.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.68 -40.97 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.62 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -105.03 -46.67 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.99 -45.7 1.06 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.62 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 31.4 ttm180 -160.23 94.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.522 ' ND2' ' H ' ' A' ' 52' ' ' PHE . 2.5 t30 -157.32 147.5 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -146.73 53.68 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.522 ' H ' ' ND2' ' A' ' 50' ' ' ASN . 62.8 m-85 -151.35 156.45 34.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.628 0.728 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 136.94 34.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -174.87 176.33 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 55' ' ' ILE . 5.1 mp -102.41 117.05 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.3 143.75 27.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.652 ' CD1' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -140.69 103.64 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.02 -91.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -131.43 22.04 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -128.2 146.83 50.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -118.17 118.57 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.652 HG23 ' CD1' ' A' ' 57' ' ' ILE . 69.0 t -69.72 -75.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.51 -47.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.466 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -131.66 132.51 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.6 p -53.21 -42.01 65.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.344 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.09 -25.64 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -41.54 77.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -70.2 -34.77 73.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -71.84 -53.1 14.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.1 78.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.037 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' A' ' 76' ' ' LYS . 64.8 mt -59.64 -48.9 79.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.754 ' HG3' HD11 ' A' ' 21' ' ' LEU . 4.4 tm-20 -56.28 -41.06 75.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -80.87 -15.94 54.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -22.49 31.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.5 -4.87 3.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG3' HD22 ' A' ' 71' ' ' LEU . 39.5 mmtm -80.15 0.89 30.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HG ' HD13 ' A' ' 81' ' ' LEU . 1.4 tp -50.73 -40.9 55.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -54.18 -50.16 67.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -64.88 -48.99 72.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 84' ' ' VAL . 2.3 mm? -54.67 -36.79 64.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.507 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -71.62 -50.67 28.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -60.49 -25.23 65.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.81 -52.54 6.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 80' ' ' LEU . 20.3 m -66.74 -20.41 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.4 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.409 0.449 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 134.4 27.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.302 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -105.01 134.83 12.22 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.3 p -111.13 104.38 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt -140.18 135.3 32.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.41 177.69 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.28 146.42 38.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.693 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -104.61 137.59 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -132.25 150.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.703 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -130.8 115.56 16.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 8' ' ' THR . 97.7 m-85 -94.28 107.71 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -179.31 -179.15 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.5 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 11.5 ptm180 -87.68 158.31 51.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.6 Cg_endo -69.8 -8.27 23.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -103.68 56.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 4.7 p -114.85 99.54 52.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.1 Cg_endo -69.76 -7.41 20.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -101.76 -41.6 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -55.64 -22.7 24.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -48.8 -32.48 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -41.52 88.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.16 -54.88 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -59.26 -32.45 70.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.53 -42.49 67.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -61.89 -49.36 76.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 21' ' ' LEU . 1.1 mt -64.77 -56.47 13.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -52.15 -36.93 52.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -77.82 -28.25 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -31.46 67.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.43 1.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG11 HG23 ' A' ' 84' ' ' VAL . 1.6 m -132.32 173.61 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 104.24 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CD1' HD21 ' A' ' 6' ' ' LEU . 37.9 p90 -92.14 144.57 25.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -102.47 113.45 26.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -84.49 113.37 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.579 HD12 ' CE ' ' A' ' 42' ' ' MET . 26.6 mm -96.22 120.36 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.3 143.58 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -61.0 -17.62 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.5 m -49.13 110.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.7 p -64.7 -24.43 67.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.7 m -49.19 -31.89 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.39 -35.08 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.49 ' O ' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.9 -36.52 77.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.445 ' HA ' HG12 ' A' ' 43' ' ' VAL . 38.2 tt0 -67.4 -37.51 83.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.44 -36.04 68.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.579 ' CE ' HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -75.82 -46.53 30.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 39' ' ' ARG . 10.5 p -64.37 -38.72 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' N ' HG13 ' A' ' 43' ' ' VAL . 3.7 pp0? -75.35 -35.4 61.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -79.31 -17.33 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.33 -40.79 10.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.665 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -97.59 -47.6 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.72 -29.07 2.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.665 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 18.6 tpt180 -177.72 98.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -143.69 149.69 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.632 HG23 ' CD2' ' A' ' 52' ' ' PHE . 11.6 t -141.59 31.93 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CD2' HG23 ' A' ' 51' ' ' THR . 58.2 m-85 -151.05 154.13 33.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.496 ' HB2' HG23 ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.78 144.64 54.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -174.64 177.26 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.601 HD13 ' O ' ' A' ' 64' ' ' GLY . 4.9 mp -102.08 128.68 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.12 145.96 33.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.433 HD13 HD13 ' A' ' 80' ' ' LEU . 67.1 mt -134.13 91.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.92 -98.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -115.54 29.67 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -149.06 119.84 7.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -93.45 119.47 32.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.69 -75.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.77 -58.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.601 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -120.43 173.5 15.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.47 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.0 m -73.01 -66.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.18 -26.17 26.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.71 -47.26 67.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.86 -37.6 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HA ' ' HG2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -66.8 -51.21 58.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.15 -38.84 80.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.762 HD22 ' HG2' ' A' ' 76' ' ' LYS . 14.6 mt -64.66 -55.83 17.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.566 ' OE1' HD11 ' A' ' 21' ' ' LEU . 13.3 pt-20 -57.13 -27.99 62.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -86.24 -23.39 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.46 -21.64 35.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.09 0.54 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.762 ' HG2' HD22 ' A' ' 71' ' ' LEU . 9.7 mptt -86.77 9.68 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.79 -42.83 98.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -51.09 -44.87 61.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -71.3 -45.31 63.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.658 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.6 mm? -55.08 -52.71 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 81' ' ' LEU . 5.2 mt -65.22 -51.45 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -56.87 -23.92 47.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -88.12 -64.69 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.693 HG12 ' HB ' ' A' ' 4' ' ' ILE . 29.5 m -51.51 -29.19 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 121.404 0.447 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -174.29 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 155.77 71.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.2 m -170.67 179.99 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtm -130.29 121.77 26.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -137.09 178.22 7.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -137.89 146.99 44.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.709 HG21 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -108.09 137.26 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.42 144.17 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.564 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -119.01 118.34 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.531 ' CE1' HG21 ' A' ' 32' ' ' ILE . 93.4 m-85 -100.06 108.18 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -177.41 -179.8 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.515 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 10.8 ptt-85 -88.27 155.54 51.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.19 14.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.52 16.62 9.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 12.8 p -80.03 114.12 43.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.1 Cg_endo -69.75 -14.52 36.23 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -80.12 -36.21 35.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 m -60.74 -24.86 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -40.94 42.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -64.57 -53.23 51.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -54.73 43.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 22' ' ' LEU . 4.7 ptt85 -58.42 -33.93 70.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -64.61 -48.61 74.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.635 HD11 ' OE1' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -61.9 -50.01 73.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.709 HD22 HG21 ' A' ' 4' ' ' ILE . 2.1 mt -62.25 -57.0 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.72 -30.91 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -75.05 -36.13 61.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.766 ' HE3' HD11 ' A' ' 81' ' ' LEU . 3.1 mmtt -71.57 -31.8 67.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.41 45.09 1.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.85 168.83 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -107.91 108.0 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CD1' HD21 ' A' ' 6' ' ' LEU . 41.5 p90 -96.79 145.39 25.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.3 m -108.01 121.34 44.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -86.87 128.01 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.531 HG21 ' CE1' ' A' ' 7' ' ' TYR . 25.3 mm -113.77 121.29 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -54.29 142.14 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -61.13 -18.26 57.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 m -50.81 108.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.725 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 30.7 p -54.28 -25.93 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -50.72 -30.84 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mp -122.81 -29.46 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.725 ' CZ ' HG22 ' A' ' 36' ' ' THR . 5.8 tmm_? -71.16 -39.07 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.92 -46.33 75.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -70.11 -31.59 69.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.483 ' SD ' HD12 ' A' ' 32' ' ' ILE . 5.2 mtt -75.37 -51.48 13.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 39' ' ' ARG . 7.4 p -62.75 -36.15 74.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -75.63 -36.39 60.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.1 tpt85 -80.84 -13.43 58.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.74 -41.15 8.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.71 -40.07 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.71 -46.41 0.86 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -169.77 101.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -153.83 151.11 29.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -141.26 48.41 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -151.53 151.76 29.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.748 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.8 66.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.75 177.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.601 HD13 ' O ' ' A' ' 64' ' ' GLY . 4.5 mp -100.77 118.1 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.81 138.83 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.495 HG12 HG23 ' A' ' 62' ' ' VAL . 7.9 pt -145.7 122.02 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 50.41 44.0 44.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 65.35 28.21 11.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -137.39 109.72 7.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -66.86 142.85 57.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.495 HG23 HG12 ' A' ' 57' ' ' ILE . 93.9 t -105.4 -69.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.04 -82.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.601 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -103.13 171.2 20.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.52 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.3 t -72.39 -61.06 1.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -54.36 -25.68 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.09 -47.68 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.1 pp -59.74 -38.32 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.487 ' CE1' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -67.65 -53.53 27.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.87 -46.69 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.78 HD22 ' HG2' ' A' ' 76' ' ' LYS . 11.9 mt -60.84 -50.08 74.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.635 ' OE1' HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -56.78 -30.86 64.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -85.16 -25.72 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -77.98 -22.04 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.72 -0.8 5.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.78 ' HG2' HD22 ' A' ' 71' ' ' LEU . 3.7 mptt -85.55 6.86 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.679 ' HG ' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -56.51 -39.37 73.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -53.97 -50.12 67.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -65.44 -50.94 63.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' CD1' HD13 ' A' ' 57' ' ' ILE . 3.1 mm? -54.69 -42.09 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.766 HD11 ' HE3' ' A' ' 25' ' ' LYS . 2.3 mm? -65.51 -47.18 76.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -67.33 -21.88 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -83.21 -37.42 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG12 ' HB ' ' A' ' 4' ' ' ILE . 33.2 m -82.71 -26.99 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 121.41 0.45 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 107.2 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 177.69 131.29 1.5 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 89.2 p -139.03 168.66 19.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ptp -132.76 132.48 42.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -121.04 178.17 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.72 146.95 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.648 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -111.21 137.87 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.0 mt -131.45 126.19 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' A' ' 29' ' ' TYR . 2.0 pp -106.47 127.62 53.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.522 ' CE1' HG21 ' A' ' 32' ' ' ILE . 94.6 m-85 -104.39 114.76 29.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.12 -178.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.512 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -85.87 158.21 56.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.76 -5.3 15.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -121.55 60.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.6 p -119.97 108.39 38.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.642 0.734 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.95 22.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -88.11 -34.76 17.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.0 m -55.34 -24.42 29.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -48.78 -38.33 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -53.83 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.02 -54.16 50.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -59.01 -34.01 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.72 -49.02 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.613 HD11 ' OE1' ' A' ' 72' ' ' GLU . 4.5 tt -61.78 -53.48 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.64 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -52.73 -57.7 9.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.38 -39.49 83.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -55.6 -41.65 73.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HE2' HD21 ' A' ' 81' ' ' LEU . 24.4 mmtm -77.2 -31.96 55.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.76 59.51 0.78 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 22' ' ' LEU . 2.7 m -132.28 171.45 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -109.17 111.22 22.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.64 ' HB3' HD23 ' A' ' 22' ' ' LEU . 35.4 p90 -101.15 144.8 29.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.496 ' HB ' HG23 ' A' ' 5' ' ' ILE . 92.3 m -102.6 116.46 32.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.5 115.38 23.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.522 HG21 ' CE1' ' A' ' 7' ' ' TYR . 23.3 mm -99.84 120.33 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.38 142.34 13.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.512 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -63.18 -16.89 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -51.4 103.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.593 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 47.0 p -53.16 -28.16 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 t -50.2 -31.28 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 mt -118.66 -37.43 3.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.593 ' CZ ' HG22 ' A' ' 36' ' ' THR . 7.0 tmm_? -62.49 -49.46 75.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -53.2 -39.74 63.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.45 -49.84 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -51.47 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.13 -35.77 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -59.98 -50.27 74.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -13.18 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.6 55.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.59 -38.54 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 140.67 -38.69 1.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -167.58 103.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -163.32 153.34 15.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 t -149.7 55.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -151.44 154.06 33.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.661 0.743 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 146.01 59.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.65 177.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 64' ' ' GLY . 5.1 mp -102.28 113.92 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.93 137.53 33.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.648 HG22 ' CG1' ' A' ' 4' ' ' ILE . 13.9 pt -140.87 121.16 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.17 44.25 26.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.18 31.81 6.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' ILE . 43.7 t80 -140.45 105.16 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -64.4 142.55 58.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.464 HG12 ' HB3' ' A' ' 67' ' ' ASP . 86.3 t -106.77 -68.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.431 ' O ' HD12 ' A' ' 55' ' ' ILE . . . 152.68 -111.34 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.55 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -87.19 173.73 44.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.512 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.5 p -66.12 -38.74 88.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -75.1 -26.29 59.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.464 ' HB3' HG12 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -52.87 -55.22 24.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.5 pp -55.85 -38.69 70.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -52.81 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.93 -52.85 56.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.88 -47.68 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.613 ' OE1' HD11 ' A' ' 21' ' ' LEU . 35.8 tt0 -56.43 -35.41 67.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.66 -23.14 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -78.41 -22.3 47.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.58 -2.2 3.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -83.08 3.41 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.562 ' HG ' HD23 ' A' ' 81' ' ' LEU . 1.1 tt -54.74 -43.82 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -44.06 68.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -69.28 -52.83 23.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.32 -52.51 61.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD21 ' HE2' ' A' ' 25' ' ' LYS . 3.6 mm? -59.25 -54.53 45.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -58.75 -22.57 58.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -81.32 -68.6 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.498 HG12 ' HB ' ' A' ' 4' ' ' ILE . 33.0 m -50.72 -30.58 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 121.437 0.465 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 124.13 10.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.304 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -170.17 130.32 1.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.34 108.86 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mtm -150.61 150.79 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -134.35 177.86 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -134.51 146.78 50.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -105.45 138.21 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.475 HG23 ' HB ' ' A' ' 30' ' ' THR . 3.9 mt -131.19 134.45 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.488 HD21 ' CD1' ' A' ' 29' ' ' TYR . 1.7 pp -114.74 120.87 41.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 8' ' ' THR . 95.1 m-85 -97.8 107.59 20.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.81 -178.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 2.9 ptp85 -86.23 158.49 55.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.79 -6.12 17.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -121.02 61.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 p -118.78 109.35 39.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.643 0.735 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.15 20.32 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -94.91 -59.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 p -53.57 -23.33 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -48.33 -32.5 7.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -66.87 -43.17 84.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -67.16 -54.89 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.477 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -58.49 -32.09 68.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -70.7 -43.83 68.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.28 -49.47 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 19' ' ' ARG . 1.5 mt -62.77 -56.08 20.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.9 -38.12 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -77.76 -26.2 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -32.44 68.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.82 34.54 3.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.543 HG11 HG23 ' A' ' 84' ' ' VAL . 1.3 m -120.57 172.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -107.75 115.97 31.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.488 ' CD1' HD21 ' A' ' 6' ' ' LEU . 47.5 p90 -110.25 142.88 41.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.475 ' HB ' HG23 ' A' ' 5' ' ' ILE . 92.0 m -101.49 116.0 31.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.42 112.49 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.1 mm -98.14 118.21 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -54.09 143.05 23.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.09 -15.83 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -50.14 103.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -53.8 -25.88 21.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.509 ' O ' HD22 ' A' ' 38' ' ' LEU . 2.7 t -49.47 -31.68 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 37' ' ' SER . 4.3 mm? -124.6 -35.46 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 43' ' ' VAL . 12.4 ttp180 -60.21 -34.87 74.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.73 -40.16 91.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.21 -37.34 72.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.12 -50.47 22.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 39' ' ' ARG . 9.7 p -60.85 -38.4 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -75.36 -33.97 61.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -79.0 -17.02 56.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.47 -41.09 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.96 -45.08 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.07 -6.81 3.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -173.43 155.45 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -63.85 149.94 45.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.78 -178.23 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.418 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 13.8 p90 -59.96 157.47 30.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.0 Cg_endo -69.76 157.69 59.52 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -176.04 -179.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.497 HD13 ' C ' ' A' ' 64' ' ' GLY . 5.2 mp -94.65 112.82 27.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.25 143.7 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.431 HD11 ' HD2' ' A' ' 60' ' ' TYR . 1.7 pp -138.8 119.83 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 51.52 -102.16 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.3 40.76 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.431 ' HD2' HD11 ' A' ' 57' ' ' ILE . 41.4 t80 -154.22 147.66 25.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -105.64 111.06 23.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.94 -74.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.44 -81.18 0.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.497 ' C ' HD13 ' A' ' 55' ' ' ILE . . . -109.11 160.4 13.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.8 p -62.28 -37.1 84.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -74.62 -26.69 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -55.09 -55.55 29.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.447 HD21 ' CB ' ' A' ' 18' ' ' ALA . 2.1 pp -57.76 -37.12 73.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.401 ' HA ' ' HG2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -63.62 -51.43 65.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.28 88.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 68' ' ' LEU . 20.1 mt -61.89 -56.32 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HG2' ' HA ' ' A' ' 69' ' ' TYR . 9.8 pt-20 -57.43 -26.65 61.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -86.08 -24.81 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.55 -22.22 41.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.84 -0.64 4.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -85.83 8.86 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.639 ' HG ' HD23 ' A' ' 81' ' ' LEU . 1.4 tt -57.51 -37.89 73.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.63 -44.92 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -72.96 -49.37 29.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.2 mm? -54.69 -40.6 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.639 HD23 ' HG ' ' A' ' 77' ' ' LEU . 3.3 mm? -74.3 -45.23 48.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -61.15 -24.78 66.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.5 -59.69 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 80' ' ' LEU . 33.9 m -56.55 -25.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.7 t60 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 121.472 0.484 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 105.1 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 106.39 93.48 2.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 38.2 t -139.69 117.47 11.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.8 mtm -112.9 154.0 27.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 177.88 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -132.64 146.26 51.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.621 HG13 HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -115.33 137.73 47.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.51 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.5 mt -129.59 149.02 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -125.81 114.42 18.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.491 ' CD2' HG21 ' A' ' 32' ' ' ILE . 91.9 m-85 -96.78 113.34 24.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.491 HG21 ' SG ' ' A' ' 15' ' ' CYS . 13.6 t -176.1 179.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.45 157.12 53.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 110.838 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.75 -16.34 37.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -94.77 36.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -106.87 94.4 10.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.59 26.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -72.93 -9.65 58.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' SG ' HG21 ' A' ' 8' ' ' THR . 66.7 m -75.4 -21.81 57.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -47.24 -38.43 12.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -62.68 -47.5 83.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -57.64 12.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -53.63 -34.79 59.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -67.3 -41.93 84.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 72' ' ' GLU . 9.9 tt -61.03 -51.39 69.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 29' ' ' TYR . 10.5 mt -61.67 -55.65 28.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.5 -39.81 70.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -62.36 -40.18 95.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HE2' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -71.1 -32.54 69.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.54 50.42 1.84 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG11 HG23 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -126.18 176.49 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.934 0.397 . . . . 0.0 111.129 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -108.54 117.63 34.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CD1' HD21 ' A' ' 6' ' ' LEU . 35.8 p90 -112.19 148.12 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.9 m -114.34 121.5 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -85.72 130.41 34.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 7' ' ' TYR . 30.0 mm -116.08 121.02 66.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -52.06 142.95 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.558 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -61.45 -17.65 55.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -50.5 106.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.699 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 22.1 p -58.92 -25.25 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.41 ' O ' HD22 ' A' ' 38' ' ' LEU . 65.4 p -50.13 -31.52 13.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.41 HD22 ' O ' ' A' ' 37' ' ' SER . 4.2 mm? -122.52 -34.33 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.699 ' CZ ' HG22 ' A' ' 36' ' ' THR . 6.3 tmm_? -62.74 -42.8 99.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.31 -42.12 90.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.22 -45.4 76.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -51.28 65.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.59 -30.3 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.28 -46.15 57.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -79.13 -13.58 59.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.7 -40.75 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.649 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -102.97 -48.15 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.96 -40.24 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.649 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 46.5 ttm-85 -165.55 88.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -148.57 145.98 28.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 t -143.37 48.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -151.45 152.72 31.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.666 0.746 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.02 36.97 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.729 2.286 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.21 177.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.72 132.25 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.82 143.07 45.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.617 ' CD1' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -139.07 107.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.66 -91.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -132.99 23.4 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -132.86 138.6 47.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -110.12 117.46 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.617 HG23 ' CD1' ' A' ' 57' ' ' ILE . 69.8 t -60.92 -75.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.95 -47.29 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -133.71 159.82 23.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.3 m -70.94 -53.82 13.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -55.68 -25.22 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -46.83 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.462 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -69.73 -36.51 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' CD1' HD11 ' A' ' 68' ' ' LEU . 18.6 m-85 -70.62 -53.55 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.43 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.6 mt -56.57 -48.27 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.731 ' HG3' HD11 ' A' ' 21' ' ' LEU . 6.8 tm-20 -56.26 -40.21 73.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -79.44 -19.5 49.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -81.61 -22.48 37.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.23 -7.46 2.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -73.06 -5.93 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.11 -42.75 29.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.28 -50.49 69.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 t -63.41 -50.8 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.3 mm? -54.8 -34.29 62.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.453 HD11 ' HE2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -70.8 -53.11 16.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -60.59 -24.99 65.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -81.19 -59.33 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.621 HG12 HG13 ' A' ' 4' ' ' ILE . 22.7 m -62.13 -23.48 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 121.431 0.461 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.73 5.28 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.656 2.238 . . . . 0.0 112.37 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -162.19 177.94 38.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.99 147.27 43.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 ptm -120.5 25.96 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.22 121.6 40.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -142.93 147.35 35.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.708 HD12 HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -107.78 137.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.604 ' N ' HD13 ' A' ' 4' ' ' ILE . 5.6 mt -133.36 144.09 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -118.67 114.44 22.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 32' ' ' ILE . 94.7 m-85 -101.82 107.47 18.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.455 ' C ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -177.2 -178.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.582 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 12.3 ptm180 -86.6 156.78 55.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.617 0.723 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -6.79 19.43 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.709 2.272 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -96.94 48.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 p -117.11 97.61 50.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -7.28 20.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -95.36 -20.89 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.3 m -53.89 -25.86 22.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -50.21 -33.01 17.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -49.54 60.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -54.91 38.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -36.42 75.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.92 -48.93 76.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.92 -53.21 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -53.25 -57.75 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.89 -37.02 75.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.52 -41.6 85.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.635 ' HE3' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -76.59 -32.25 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.01 53.59 1.17 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.613 HG11 HG23 ' A' ' 84' ' ' VAL . 1.1 m -125.57 177.95 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 114.19 27.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.712 ' HB3' HD23 ' A' ' 22' ' ' LEU . 40.9 p90 -104.58 144.91 31.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -109.45 119.39 39.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -84.95 134.96 34.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' A' ' 7' ' ' TYR . 22.3 mm -124.19 120.79 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -56.6 143.04 37.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.582 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -62.8 -16.1 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.6 t -49.8 106.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -56.22 -24.96 45.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' HD22 ' A' ' 38' ' ' LEU . 7.4 t -49.86 -31.51 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 37' ' ' SER . 4.4 mm? -124.43 -34.57 2.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 43' ' ' VAL . 18.4 ttp85 -62.2 -36.23 81.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.666 ' OE1' HG23 ' A' ' 51' ' ' THR . 4.6 tp60 -66.53 -37.48 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -70.4 -48.7 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -51.48 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 39' ' ' ARG . 10.6 p -62.84 -36.34 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.03 -51.3 69.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -79.0 -13.09 60.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.12 -41.09 43.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.29 -45.96 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.96 -57.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.545 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -152.68 116.36 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' HB2' HG22 ' A' ' 43' ' ' VAL . 1.2 m120 -153.46 160.69 42.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.666 HG23 ' OE1' ' A' ' 40' ' ' GLN . 4.0 m -154.34 36.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -147.11 144.26 19.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.53 54.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.374 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -176.76 179.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 64' ' ' GLY . 26.6 mt -96.29 142.87 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.97 139.7 53.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.597 HG22 HG12 ' A' ' 4' ' ' ILE . 9.5 pt -142.56 122.78 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.0 44.82 19.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 66.56 33.67 6.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -144.12 106.14 4.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -65.61 142.7 57.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.421 HG23 HG12 ' A' ' 57' ' ' ILE . 59.9 t -104.34 -56.78 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.98 -110.57 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.598 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -84.74 -177.55 51.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.428 ' HA ' HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -73.42 -61.72 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.26 -26.25 27.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -52.97 -55.25 24.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 55' ' ' ILE . 1.7 pp -56.78 -36.04 69.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -53.01 28.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.77 -52.8 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.14 -47.4 85.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -33.82 66.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -86.53 -20.28 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -80.44 -22.12 41.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.72 -3.14 3.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -80.94 1.97 28.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.577 ' HG ' HD13 ' A' ' 81' ' ' LEU . 2.1 tt -50.09 -44.34 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -52.93 -43.7 66.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.2 t -68.51 -52.23 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 84' ' ' VAL . 3.6 mm? -54.61 -51.45 65.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.635 HD21 ' HE3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -63.13 -41.22 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -67.49 -23.52 65.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -87.71 -44.44 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.634 HG12 ' HB ' ' A' ' 4' ' ' ILE . 15.0 m -74.47 -23.64 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 121.39 0.439 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -175.95 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.65 2.234 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -127.66 -144.59 5.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.548 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.0 t -151.4 155.93 39.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.833 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtp -133.41 95.38 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -144.48 178.29 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -141.41 147.22 37.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.422 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -119.13 136.78 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.5 mt -134.5 150.98 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.41 114.82 20.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.507 ' CD1' HG21 ' A' ' 32' ' ' ILE . 96.6 m-85 -99.34 109.14 21.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.517 HG23 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -174.96 -179.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.202 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 4.9 ptp180 -88.86 155.77 49.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.0 22.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.232 . . . . 0.0 112.359 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 63.56 19.33 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.1 p -82.59 120.13 76.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -44.13 2.23 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -52.69 -35.61 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -55.79 -25.2 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -49.48 -41.67 41.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.81 -53.93 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.741 ' O ' HD22 ' A' ' 22' ' ' LEU . . . -59.24 -57.53 12.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -52.92 -35.47 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -70.03 -37.62 75.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.603 HD11 ' CD ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -63.43 -53.93 44.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.741 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -64.78 -45.53 85.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.68 -32.24 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -76.24 -36.47 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -71.49 -32.44 68.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.4 49.1 2.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.459 HG21 ' HB ' ' A' ' 84' ' ' VAL . 1.0 OUTLIER -126.98 175.33 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.08 108.76 19.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.522 ' HB2' HD21 ' A' ' 6' ' ' LEU . 32.6 p90 -101.67 145.71 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 66.6 m -105.26 128.37 53.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.4 138.1 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.507 HG21 ' CD1' ' A' ' 7' ' ' TYR . 24.0 mm -125.48 122.4 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -59.31 142.79 51.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -62.53 -16.94 58.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m -50.13 105.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -52.44 -27.46 16.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m -49.7 -31.68 11.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.2 mt -121.89 -33.7 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -63.84 -45.75 88.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -58.29 -40.69 82.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.84 -47.6 68.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -61.75 -52.28 64.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 50' ' ' ASN . 9.9 p -61.96 -33.92 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.38 -51.51 62.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -78.69 -10.65 59.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.44 -41.89 21.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 1.9 p-10 -130.58 -38.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.44 -47.26 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.496 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 11.8 ptm180 -170.76 161.4 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.429 ' HB3' HG11 ' A' ' 43' ' ' VAL . 5.0 t-20 -176.21 156.9 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 p -139.23 17.4 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -151.41 152.85 31.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.679 0.752 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.517 ' HB2' HG23 ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.73 154.55 67.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -174.65 178.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 mp -101.64 134.41 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.68 137.59 47.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.716 HD12 ' OD2' ' A' ' 83' ' ' ASP . 1.4 pp -149.12 129.26 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.16 56.6 6.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 49.28 34.11 5.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -140.85 112.73 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -73.55 123.1 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.7 t -86.9 -75.1 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.23 -105.07 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.3 163.1 37.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.81 -55.18 32.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.338 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.12 -26.25 37.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -52.61 -55.45 22.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.537 ' CD1' HD13 ' A' ' 21' ' ' LEU . 1.8 pp -56.2 -36.06 67.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -52.97 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.42 -51.75 61.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.51 -48.84 80.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.603 ' CD ' HD11 ' A' ' 21' ' ' LEU . 32.9 tt0 -56.74 -32.68 65.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -85.85 -21.89 27.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -22.0 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.92 -1.95 4.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.438 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.66 6.99 25.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HG ' HD13 ' A' ' 81' ' ' LEU . 1.4 tt -53.45 -43.03 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -53.46 -49.87 66.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.2 t -62.75 -50.97 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.14 -47.88 74.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.52 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -62.66 -38.76 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.07 -23.98 60.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.716 ' OD2' HD12 ' A' ' 57' ' ' ILE . 1.2 m-20 -83.89 -30.98 25.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.459 ' HB ' HG21 ' A' ' 27' ' ' VAL . 29.1 m -88.54 -25.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 121.394 0.441 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 176.62 6.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -157.98 160.98 31.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.6 t -136.19 112.11 9.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ptp -171.8 152.16 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -93.94 178.16 5.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.37 146.76 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.682 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -104.52 137.24 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' N ' HD13 ' A' ' 4' ' ' ILE . 3.5 mt -131.43 123.62 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 6' ' ' LEU . 2.3 pp -103.5 122.78 45.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.569 ' CE2' HG23 ' A' ' 43' ' ' VAL . 95.6 m-85 -100.56 114.92 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.48 -178.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.509 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -86.49 161.71 47.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.858 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -7.11 20.21 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.703 2.269 . . . . 0.0 112.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -98.88 47.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -107.66 90.53 6.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.37 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -63.71 -27.01 68.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -53.63 -22.67 9.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -46.99 -33.88 5.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.16 -48.55 81.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -54.16 35.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -59.12 -31.21 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.82 -48.32 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.33 -45.38 91.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -62.69 -58.14 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -56.75 -38.6 72.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -66.31 -35.94 81.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -71.38 -31.84 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.61 44.85 1.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.84 168.96 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.98 104.57 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.429 ' HB3' HD23 ' A' ' 22' ' ' LEU . 32.3 p90 -95.63 142.26 28.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.442 ' HB ' HG23 ' A' ' 5' ' ' ILE . 52.2 m -107.02 124.47 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -91.29 112.12 23.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD12 ' HE2' ' A' ' 42' ' ' MET . 46.0 mm -95.04 117.57 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.01 143.68 54.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.23 -24.2 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -48.26 116.38 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.5 p -62.71 -23.29 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.567 ' C ' HD22 ' A' ' 38' ' ' LEU . 1.6 p -51.02 -31.87 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD22 ' C ' ' A' ' 37' ' ' SER . 4.4 mm? -123.98 -26.1 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -74.6 -43.02 57.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.45 -47.48 83.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -48.16 70.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.5 ' HE2' HD12 ' A' ' 32' ' ' ILE . 5.4 tpp -61.35 -50.15 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 7' ' ' TYR . 3.8 t -57.36 -49.68 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -53.99 -46.94 71.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -78.79 -10.41 59.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.92 -41.96 22.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -118.14 -43.57 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.37 -16.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -159.24 161.13 35.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -78.44 157.26 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 t -175.79 -171.48 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 11.3 p90 -59.94 157.67 29.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.1 Cg_endo -69.7 154.2 68.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -175.76 -178.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.442 HD13 ' C ' ' A' ' 64' ' ' GLY . 5.2 mp -94.54 112.76 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.16 141.25 28.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.682 HG22 ' CG1' ' A' ' 4' ' ' ILE . 1.1 pp -139.49 115.19 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.15 -98.04 0.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -128.95 29.95 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.833 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.442 ' HD2' HD11 ' A' ' 57' ' ' ILE . 52.2 t80 -142.69 147.22 35.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -107.34 106.11 16.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.7 t -53.79 -74.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.4 -55.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' C ' HD13 ' A' ' 55' ' ' ILE . . . -123.06 148.98 16.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -67.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -54.34 -26.35 29.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -52.61 -41.97 64.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.55 -36.78 84.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -52.9 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.12 -52.37 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.7 mt -59.46 -46.57 88.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.65 -42.67 75.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -80.82 -16.66 53.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.15 -22.33 36.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.26 -5.72 3.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.46 3.33 28.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.665 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -51.11 -43.13 61.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -45.15 69.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.8 t -68.52 -50.62 50.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.71 -52.32 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.665 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -60.81 -49.46 77.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -61.1 -24.31 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.531 ' CG ' HD12 ' A' ' 57' ' ' ILE . 2.9 m-20 -84.41 -63.46 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.4 m -52.84 -32.66 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 121.452 0.473 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 165.92 29.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.228 . . . . 0.0 112.414 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -109.18 17.02 32.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 7.6 t -98.66 100.16 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.826 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.2 mtp -126.81 60.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -64.72 172.68 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.0 146.24 33.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.548 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -109.5 138.19 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 mt -132.95 151.92 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -130.41 114.21 15.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 8' ' ' THR . 96.4 m-85 -93.89 116.81 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -177.91 178.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -88.33 155.67 51.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.86 26.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.27 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 63.78 18.76 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.6 119.36 76.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -44.87 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.27 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -52.32 -34.89 49.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.6 m -54.78 -25.7 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -50.04 -36.89 30.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -66.09 -53.24 40.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.75 ' O ' HD22 ' A' ' 22' ' ' LEU . . . -62.92 -57.28 11.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -35.49 42.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.62 -40.03 73.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD13 ' CD1' ' A' ' 68' ' ' LEU . 3.3 tt -60.38 -54.01 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -65.09 -44.98 87.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.41 -28.7 69.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -77.54 -40.19 43.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -31.9 68.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.61 54.99 1.03 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -133.18 172.7 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.388 . . . . 0.0 111.121 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -110.97 97.49 6.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.588 ' CD1' HD21 ' A' ' 6' ' ' LEU . 42.4 p90 -88.28 139.71 30.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.3 m -98.53 124.6 43.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.0 125.71 39.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.1 mm -107.4 120.93 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -61.36 143.03 56.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -19.81 36.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 m -48.92 118.41 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.8 p -63.79 -24.08 67.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m -49.7 -31.6 11.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.7 mt -124.22 -35.44 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -61.65 -39.99 93.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -61.51 -40.59 95.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.26 -49.69 63.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -63.02 -52.09 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.658 HG22 HD21 ' A' ' 47' ' ' ASN . 6.2 p -60.14 -31.71 48.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.26 -50.38 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -77.68 -9.75 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.91 -41.17 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.658 HD21 HG22 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -129.63 -39.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.33 25.91 62.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -118.99 -14.43 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 51.18 89.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 -170.25 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.09 159.97 18.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.685 0.755 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.38 63.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.344 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.08 -179.24 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.3 mp -94.3 120.63 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.96 152.34 18.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.415 HD12 ' OD2' ' A' ' 83' ' ' ASP . 1.1 pt -149.0 104.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.36 -87.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -138.0 20.29 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -131.69 149.12 52.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -110.85 115.35 29.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.0 t -54.98 -73.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.13 -33.62 2.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -155.12 170.08 33.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.529 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 t -68.23 -66.75 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.734 0.302 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -55.07 -26.28 36.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -52.92 -55.17 25.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.61 ' CD1' HD13 ' A' ' 21' ' ' LEU . 1.8 pp -53.81 -36.39 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -52.78 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.67 -51.27 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.89 -46.77 88.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -55.78 -39.79 71.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -81.7 -20.59 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -78.62 -22.44 46.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.97 -2.21 4.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -81.85 1.69 33.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.804 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -51.44 -39.43 57.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.24 -49.39 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.2 t -68.28 -49.01 63.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 84' ' ' VAL . 4.1 mm? -54.42 -42.53 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.804 HD13 ' HG ' ' A' ' 77' ' ' LEU . 4.7 mp -72.28 -41.64 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.42 -26.63 68.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.958 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.415 ' OD2' HD12 ' A' ' 57' ' ' ILE . 28.2 m-20 -83.87 -53.81 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.548 HG12 ' HB ' ' A' ' 4' ' ' ILE . 22.8 m -62.52 -32.2 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 121.434 0.464 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 88.61 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.286 . . . . 0.0 112.371 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -148.58 -112.39 0.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 39.8 m -161.87 120.34 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.384 . . . . 0.0 110.811 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mtp -119.87 133.1 55.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -145.03 177.94 8.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -128.26 147.54 50.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.437 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -105.46 138.09 32.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.437 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.2 mt -133.25 122.03 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.643 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -104.67 128.25 52.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.46 ' CD1' HG21 ' A' ' 32' ' ' ILE . 97.0 m-85 -106.97 107.69 18.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.65 -178.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.464 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.29 156.48 54.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 169.31 19.2 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 66.88 11.23 8.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 p -61.49 111.34 4.18 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.616 0.722 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -41.76 4.04 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.759 2.306 . . . . 0.0 112.318 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -69.54 -43.14 73.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -22.88 51.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . 66.0 mttt -48.73 -32.78 9.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -65.51 -51.25 61.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.22 -54.03 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 11.6 ptp180 -60.17 -34.85 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.95 -48.94 76.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.493 HD11 ' OE1' ' A' ' 72' ' ' GLU . 1.2 tt -61.81 -45.82 92.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -57.44 -58.23 9.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -59.7 -32.03 70.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -67.81 -36.75 80.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -76.12 -32.32 59.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.02 57.64 0.72 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.549 HG21 ' HB ' ' A' ' 84' ' ' VAL . 1.7 m -135.8 170.42 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -109.22 106.36 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.643 ' CD1' HD21 ' A' ' 6' ' ' LEU . 34.2 p90 -96.77 145.88 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.0 m -105.1 119.59 39.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.0 111.29 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 7' ' ' TYR . 26.6 mm -95.92 121.47 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -55.94 142.41 35.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.464 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.91 -18.21 55.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.3 t -50.97 107.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.1 p -54.3 -25.74 25.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -51.06 -31.4 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mp -121.39 -30.4 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -70.0 -45.73 66.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -58.98 -45.9 89.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -68.32 -41.1 81.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -51.9 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.77 -35.3 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -62.03 -50.85 70.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -78.88 -14.3 59.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.84 -41.57 52.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.22 -47.18 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.5 -54.99 0.53 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -142.1 107.07 4.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -173.82 149.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 t -153.49 55.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -151.32 155.33 34.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.749 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 145.02 56.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.722 2.282 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.5 177.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 64' ' ' GLY . 5.1 mp -99.7 110.67 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.4 137.82 33.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 1.014 HD11 HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -146.44 118.25 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.53 44.48 22.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.449 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 t70 71.9 30.12 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 57' ' ' ILE . 85.0 t80 -133.44 111.0 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -85.24 130.58 34.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.014 HG23 HD11 ' A' ' 57' ' ' ILE . 43.3 t -98.47 -73.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.3 -84.04 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -86.45 153.33 26.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.0 p -70.53 -35.1 72.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -73.35 -26.29 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -52.84 -54.02 40.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.2 pp -52.9 -38.15 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.98 -52.64 26.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.43 71.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD23 ' NZ ' ' A' ' 74' ' ' LYS . 96.3 mt -61.44 -48.41 81.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' OE1' HD11 ' A' ' 21' ' ' LEU . 35.3 tt0 -56.12 -35.71 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -85.07 -19.5 31.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.518 ' NZ ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -81.42 -22.12 38.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.62 -2.4 4.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.426 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -89.64 13.01 15.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.69 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.43 -41.0 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -53.47 -47.16 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.8 t -67.64 -50.21 59.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.51 -52.42 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.69 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -61.28 -44.63 96.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.16 -31.49 69.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -76.27 -60.32 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.549 ' HB ' HG21 ' A' ' 27' ' ' VAL . 33.8 m -53.46 -34.08 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 121.475 0.486 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -177.37 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.242 . . . . 0.0 112.356 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 153.15 137.45 2.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 58.7 m -62.09 166.56 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm -96.42 -74.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -104.26 177.7 4.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -130.08 147.66 51.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.628 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -108.65 137.65 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.2 mt -134.16 129.11 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 6' ' ' LEU . 2.6 pp -105.88 121.71 44.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.549 ' CD1' HG21 ' A' ' 32' ' ' ILE . 97.3 m-85 -105.3 112.23 25.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.05 179.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.146 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -87.82 158.3 50.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.889 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.7 Cg_endo -69.81 -7.9 22.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -97.72 32.6 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.4 t -107.84 91.68 7.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.09 24.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.8 -14.95 63.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.91 -21.26 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -47.38 -33.77 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -62.28 -54.48 40.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HA ' HD21 ' A' ' 68' ' ' LEU . . . -61.11 -56.91 15.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -53.11 -32.25 46.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.23 -40.23 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.717 HD23 ' CE1' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -62.23 -45.03 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.676 HD13 ' HB3' ' A' ' 29' ' ' TYR . 10.5 mt -68.9 -50.68 47.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.33 -26.96 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -77.28 -40.54 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.764 ' HE3' HD11 ' A' ' 81' ' ' LEU . 5.0 mptp? -71.18 -31.96 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.61 54.88 1.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.438 HG21 ' HB ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -128.96 175.8 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 111.151 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.54 106.62 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.676 ' HB3' HD13 ' A' ' 22' ' ' LEU . 43.4 p90 -100.11 144.32 29.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.401 ' HB ' HG23 ' A' ' 5' ' ' ILE . 52.3 m -103.19 123.51 46.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -87.23 126.67 34.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 7' ' ' TYR . 22.9 mm -116.91 120.17 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.18 143.33 55.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -59.82 -18.35 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -49.11 112.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.8 p -60.85 -24.59 66.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.425 ' C ' HD22 ' A' ' 38' ' ' LEU . 1.1 p -49.37 -31.54 9.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD22 ' C ' ' A' ' 37' ' ' SER . 4.4 mm? -124.22 -36.14 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.544 ' O ' HG12 ' A' ' 43' ' ' VAL . 11.2 ttp180 -61.61 -42.4 98.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.1 -38.0 75.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -70.75 -51.54 26.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -59.03 -51.46 69.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 39' ' ' ARG . 7.7 p -62.4 -35.56 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.19 -50.61 72.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -10.83 59.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.71 -42.53 28.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -114.02 -38.54 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 147.04 -40.98 0.98 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -142.6 147.52 35.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -51.41 157.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.55 -178.6 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 10.1 p90 -60.14 155.36 45.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 54.4 Cg_endo -69.69 154.63 67.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 0.0 112.371 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -174.42 -178.11 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 64' ' ' GLY . 21.6 mt -94.79 115.34 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.36 139.44 31.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.628 HG22 ' CG1' ' A' ' 4' ' ' ILE . 9.8 pt -141.51 121.47 11.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.34 44.72 28.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 66.77 31.51 7.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -141.44 104.9 4.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -63.59 142.96 58.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.525 HG23 HG12 ' A' ' 57' ' ' ILE . 85.9 t -107.04 -66.91 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.01 -82.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.573 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -115.33 -176.18 18.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.1 m -74.96 -56.36 4.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -54.32 -26.53 30.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.18 -54.6 33.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 18' ' ' ALA . 1.4 pp -57.82 -35.37 70.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.717 ' CE1' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -68.24 -53.19 26.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -48.07 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.97 -45.54 88.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -56.61 -36.11 69.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -86.36 -22.26 26.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.45 -22.74 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.27 -2.73 6.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.61 7.0 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.723 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -54.35 -40.01 67.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.409 ' N ' HD23 ' A' ' 77' ' ' LEU . 1.3 m-20 -54.43 -49.89 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.9 t -64.92 -49.44 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.79 -50.22 69.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.764 HD11 ' HE3' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -65.16 -35.8 82.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.09 -27.47 65.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -81.0 -44.84 17.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' A' ' 81' ' ' LEU . 32.7 m -73.22 -28.27 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 121.458 0.477 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 88.03 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.362 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 156.11 147.67 4.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.46 167.73 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm -68.38 89.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.68 149.02 29.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -142.16 146.31 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.675 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -106.42 137.37 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.658 HG23 ' HB ' ' A' ' 30' ' ' THR . 5.3 mt -133.2 118.65 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 29' ' ' TYR . 2.5 pp -99.4 124.17 44.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 8' ' ' THR . 85.3 m-85 -99.57 106.23 18.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 177.35 -179.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.161 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.787 ' HD2' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -113.66 158.16 39.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.913 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 54.0 Cg_endo -69.74 -2.58 10.4 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.62 2.213 . . . . 0.0 112.377 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -71.92 -54.48 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 p -58.89 120.42 46.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.615 0.721 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -38.81 7.22 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -38.06 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.9 m -53.73 -26.09 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . 18.7 mttm -52.22 -32.75 38.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -63.68 -52.44 60.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.701 ' O ' HD22 ' A' ' 22' ' ' LEU . . . -58.79 -57.72 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 14.4 ptp180 -54.34 -36.08 63.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.49 -37.2 79.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.686 HD11 ' OE1' ' A' ' 72' ' ' GLU . 4.8 tt -61.59 -54.42 43.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -61.43 -48.14 82.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.11 -27.02 69.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -41.58 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.647 ' HE2' HD13 ' A' ' 81' ' ' LEU . 25.0 mmmt -71.04 -32.01 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.34 54.79 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.48 170.92 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 92.69 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' HD21 ' A' ' 6' ' ' LEU . 28.5 p90 -85.22 143.85 28.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.658 ' HB ' HG23 ' A' ' 5' ' ' ILE . 85.9 m -98.3 111.12 23.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.48 112.0 19.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mm -94.85 123.39 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.88 143.54 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.787 ' HB2' ' HD2' ' A' ' 9' ' ' ARG . . . -52.98 -23.11 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 m -48.82 104.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.6 p -57.56 -23.58 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' HD22 ' A' ' 38' ' ' LEU . 5.5 p -49.93 -31.63 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 37' ' ' SER . 4.1 mm? -123.32 -33.57 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -42.62 91.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -63.6 -43.3 97.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.42 -42.09 88.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.2 tpp -68.43 -51.57 42.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.77 -30.42 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -74.31 -45.97 44.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -78.5 -10.9 59.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.26 -40.82 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.669 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -105.35 -46.95 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.54 -35.64 2.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.669 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 35.6 ttm180 -177.13 89.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -120.0 157.35 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.0 t -147.59 27.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -151.74 147.4 20.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.03 55.76 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.68 177.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.7 mp -97.42 116.8 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.12 144.1 26.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.564 HG22 HG12 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -142.68 110.75 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.6 -92.4 0.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -134.25 24.06 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.333 . . . . 0.0 110.836 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.404 ' HD2' HD11 ' A' ' 57' ' ' ILE . 55.9 t80 -136.33 147.27 47.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -108.94 110.68 22.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.2 t -51.34 -74.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.93 -49.67 0.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -149.22 167.74 29.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.7 p -63.78 -38.88 92.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.74 -26.38 57.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -59.85 -55.56 32.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.636 ' CD1' HD13 ' A' ' 21' ' ' LEU . 2.1 pp -54.67 -38.33 66.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.536 ' CE1' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -66.96 -53.41 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.67 -48.33 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.75 HD22 ' HG2' ' A' ' 76' ' ' LYS . 10.6 mt -59.36 -49.37 78.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.686 ' OE1' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -56.93 -32.01 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -83.82 -25.0 30.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -78.72 -22.28 46.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.22 -0.43 4.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.75 ' HG2' HD22 ' A' ' 71' ' ' LEU . 4.3 mptp? -85.26 6.25 26.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.04 -46.77 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -50.58 -41.77 54.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -70.61 -47.91 57.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.02 -52.55 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.647 HD13 ' HE2' ' A' ' 25' ' ' LYS . 6.0 mt -63.28 -43.3 98.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -58.5 -34.23 70.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -75.93 -62.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.675 HG12 ' HB ' ' A' ' 4' ' ' ILE . 32.7 m -53.15 -32.51 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 121.496 0.498 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -172.58 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.362 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -146.57 -135.18 2.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 9.5 m -109.49 80.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtm -142.11 132.02 24.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -67.91 178.0 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -131.41 145.87 52.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.622 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -115.3 137.27 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.543 HG23 ' HB ' ' A' ' 30' ' ' THR . 4.6 mt -132.31 123.88 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.642 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -100.93 127.36 47.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.536 ' CE1' HG21 ' A' ' 32' ' ' ILE . 92.3 m-85 -107.05 112.52 25.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -176.45 -179.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 4.9 ptp180 -90.63 158.23 43.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.638 0.732 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.75 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -101.66 33.68 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.7 t -106.96 94.13 10.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.633 0.73 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.34 23.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.389 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -13.09 61.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.1 m -74.06 -22.56 59.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -47.96 -33.64 8.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -64.28 -54.82 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -57.88 -57.5 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -53.76 -36.06 61.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -64.5 -40.34 95.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.608 HD21 ' OE2' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -63.93 -49.37 72.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 29' ' ' TYR . 14.3 mt -58.5 -56.29 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -59.47 -31.77 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -66.02 -41.79 90.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -72.02 -32.38 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.41 52.06 1.09 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -128.23 172.82 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.964 0.411 . . . . 0.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 113.52 27.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.642 ' CD1' HD21 ' A' ' 6' ' ' LEU . 36.9 p90 -105.01 143.81 32.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.543 ' HB ' HG23 ' A' ' 5' ' ' ILE . 61.8 m -104.72 117.33 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.141 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -84.23 119.28 24.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 7' ' ' TYR . 46.4 mm -107.53 119.26 56.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -66.75 143.8 56.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.7 -19.42 26.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -47.25 105.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -53.66 -25.52 18.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.7 m -49.56 -31.69 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.1 mt -123.47 -35.17 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -37.52 79.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.87 -41.71 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -66.83 -45.6 77.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.3 mmt -66.58 -52.24 47.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.32 -32.05 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -70.63 -50.59 35.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -74.16 -10.42 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.35 -40.76 11.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -136.43 -34.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.21 49.85 2.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -175.58 138.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -93.31 134.35 35.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.04 -170.24 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -60.19 160.63 16.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 8' ' ' THR . 53.1 Cg_endo -69.82 142.96 49.09 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.638 2.226 . . . . 0.0 112.363 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -153.78 179.62 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 55' ' ' ILE . 4.2 mp -99.86 116.37 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.35 132.65 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.604 HG22 HG12 ' A' ' 4' ' ' ILE . 14.7 pt -138.06 130.21 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.81 51.36 10.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 55.55 34.09 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -142.73 108.65 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -63.62 138.02 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.422 HG21 HD13 ' A' ' 57' ' ' ILE . 94.8 t -105.77 -69.75 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.9 -123.89 1.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -82.63 173.2 52.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.1 m -58.95 -61.79 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.36 -26.41 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -52.79 -55.31 23.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.418 HD21 ' CB ' ' A' ' 18' ' ' ALA . 1.7 pp -56.33 -36.49 68.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CE1' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -66.81 -53.2 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.87 59.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.88 -48.06 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.608 ' OE2' HD21 ' A' ' 21' ' ' LEU . 36.0 tt0 -56.78 -34.14 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -83.27 -22.68 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -79.74 -22.24 43.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.56 -1.06 4.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -85.02 5.12 30.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.4 ' C ' HD23 ' A' ' 77' ' ' LEU . 5.4 tt -51.87 -48.58 63.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.78 -41.82 57.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.8 t -68.43 -48.51 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.514 HD13 ' CD1' ' A' ' 57' ' ' ILE . 3.9 mm? -58.9 -52.87 63.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.467 ' HA ' HG22 ' A' ' 84' ' ' VAL . 6.3 mt -61.08 -39.42 89.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -71.84 -22.67 61.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -86.52 -33.41 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' A' ' 4' ' ' ILE . 32.4 m -87.44 -24.77 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 121.486 0.492 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -178.78 2.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.65 2.234 . . . . 0.0 112.34 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -136.32 -142.98 4.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.9 m -130.24 131.7 45.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.847 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.55 148.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -78.19 178.13 7.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.99 147.01 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.656 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -108.54 137.63 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.5 mt -134.34 150.64 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.479 HD21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.99 114.03 18.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 8' ' ' THR . 94.0 m-85 -95.66 107.38 19.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.73 -178.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -87.1 155.93 54.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.72 . . . . 0.0 110.842 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -93.77 52.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 7.9 p -123.97 98.47 39.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.663 0.744 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.2 Cg_endo -69.76 -7.32 20.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.5 -20.49 18.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 m -54.76 -25.77 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -50.13 -36.79 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -64.13 -50.58 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.4 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -60.63 -31.08 70.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.57 -49.11 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.534 HD23 ' N ' ' A' ' 22' ' ' LEU . 2.4 tt -61.29 -52.41 64.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 4' ' ' ILE . 2.5 mt -59.21 -56.42 22.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.03 -29.71 60.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -40.63 75.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -70.91 -31.88 68.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.17 54.09 0.86 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.444 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG11 HG23 ' A' ' 84' ' ' VAL . 1.2 m -131.54 166.06 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -105.6 107.58 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.479 ' HB2' HD21 ' A' ' 6' ' ' LEU . 42.4 p90 -94.96 145.67 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.6 m -110.44 120.37 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.86 126.0 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.428 HD12 ' CE ' ' A' ' 42' ' ' MET . 30.5 mm -111.53 117.74 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -53.09 143.54 17.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.56 -17.86 48.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 m -48.74 110.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -63.43 -24.27 67.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.6 p -49.62 -31.48 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 mt -125.32 -35.13 2.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.529 ' O ' HG12 ' A' ' 43' ' ' VAL . 9.7 tmm_? -61.55 -35.74 78.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.55 -41.22 93.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.06 -35.63 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.428 ' CE ' HD12 ' A' ' 32' ' ' ILE . 1.9 tpp -73.92 -50.78 18.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 39' ' ' ARG . 10.7 p -61.43 -37.35 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -75.86 -35.02 60.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -79.62 -15.63 57.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -40.89 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -39.48 9.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 136.87 -74.76 0.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -106.65 127.91 53.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -49.93 139.73 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.8 -169.87 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -60.18 161.03 14.15 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.54 179.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.42 116.85 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.93 136.79 34.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.656 HG22 ' CG1' ' A' ' 4' ' ' ILE . 13.9 pt -140.72 122.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.34 43.61 26.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 66.55 31.85 7.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -140.16 108.38 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -63.83 142.51 58.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.89 -31.58 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.24 -73.74 0.38 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.14 150.77 17.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -35.46 76.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.29 -26.36 65.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -36.93 77.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -68.53 -34.96 76.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 12.8 m-85 -72.75 -53.18 12.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.0 86.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.061 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 76' ' ' LYS . 27.0 mt -65.84 -53.08 44.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG2' HD12 ' A' ' 77' ' ' LEU . 4.1 tm-20 -55.49 -37.81 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -82.21 -21.24 36.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -22.74 42.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.72 -3.25 4.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.502 ' HG2' HD22 ' A' ' 71' ' ' LEU . 4.9 mptp? -80.85 2.31 26.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD12 ' HG2' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -50.18 -43.99 52.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.932 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.86 -49.98 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.5 t -65.83 -40.83 92.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.564 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.5 mm? -61.07 -44.79 96.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.473 ' HA ' HG22 ' A' ' 84' ' ' VAL . 5.0 mt -65.92 -43.02 89.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -71.68 -20.93 61.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.23 -34.32 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.626 HG23 HG11 ' A' ' 27' ' ' VAL . 32.4 m -85.97 -20.69 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 121.425 0.458 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.71 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 151.36 121.97 1.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 18.3 p -129.99 91.33 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtt -144.71 169.07 18.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 173.27 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.0 146.68 34.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.636 HD12 HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -109.93 137.06 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.2 mt -129.74 148.41 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 29' ' ' TYR . 4.1 mt -115.54 139.27 50.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -123.2 106.52 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.437 ' C ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -176.46 -178.25 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -86.49 156.82 56.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.882 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.5 Cg_endo -69.73 -7.63 21.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -96.17 48.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 p -114.19 94.98 37.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.63 21.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.18 -11.53 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.76 -25.9 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -50.15 -35.6 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.1 mmt-85 -64.05 -50.04 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.51 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -61.55 -30.86 70.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.07 -49.74 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.694 HD21 ' CD ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -61.73 -53.21 59.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.769 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -56.86 -56.99 14.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.22 -44.5 79.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -55.49 -41.04 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.736 ' HE3' HD11 ' A' ' 81' ' ' LEU . 4.6 mptp? -71.36 -33.0 69.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.8 52.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.662 HG11 HG23 ' A' ' 84' ' ' VAL . 7.5 m -129.24 -176.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.115 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -122.35 109.96 15.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.769 ' HB3' HD23 ' A' ' 22' ' ' LEU . 31.6 p90 -100.43 141.57 33.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.1 m -110.39 110.75 21.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -78.07 136.93 37.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mm -121.16 120.99 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.89 144.46 38.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HB2' ' C ' ' A' ' 8' ' ' THR . . . -76.41 59.43 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -127.16 105.52 8.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 p -47.21 -29.03 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.69 -31.53 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.91 -38.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' HG12 ' A' ' 43' ' ' VAL . 9.3 ttp180 -57.97 -33.14 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -62.36 -44.06 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -69.75 -44.9 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -52.58 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 50' ' ' ASN . 6.8 p -62.44 -32.75 56.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -65.71 -51.18 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -78.74 -10.59 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.87 -41.75 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 2.1 p-10 -132.21 -36.72 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.5 -55.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 31.6 ttm180 -173.34 124.41 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.565 ' HB3' HG21 ' A' ' 43' ' ' VAL . 10.6 t-20 -139.78 172.9 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 51' ' ' THR . 3.8 m -158.29 30.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.401 ' N ' HH22 ' A' ' 39' ' ' ARG . 53.8 m-85 -151.61 151.45 28.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.78 52.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.748 2.298 . . . . 0.0 112.366 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -178.21 178.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.53 131.84 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' O ' HD13 ' A' ' 57' ' ' ILE . 1.8 t80 -102.92 135.74 44.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.651 HG22 ' HB3' ' A' ' 83' ' ' ASP . 10.0 mm -123.49 101.64 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 52.45 -101.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -114.71 37.09 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.485 ' HE2' HG22 ' A' ' 62' ' ' VAL . 11.2 t80 -149.01 147.44 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -109.96 118.93 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.602 HG23 HG12 ' A' ' 57' ' ' ILE . 89.2 t -72.48 -74.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.6 -47.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.3 144.69 16.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.2 p -64.94 -36.8 85.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -68.0 -26.15 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -36.54 76.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -70.05 -35.75 74.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 12.5 m-85 -71.41 -53.39 14.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.07 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.645 HD22 ' HG3' ' A' ' 76' ' ' LYS . 34.9 mt -59.95 -49.15 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.694 ' CD ' HD21 ' A' ' 21' ' ' LEU . 27.5 tt0 -56.12 -42.07 76.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.7 -20.68 53.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -23.0 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.13 -7.34 3.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.645 ' HG3' HD22 ' A' ' 71' ' ' LEU . 34.5 mmtm -77.89 -1.53 32.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -50.71 -40.61 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -55.11 -50.0 70.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.9 t -68.32 -47.02 68.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.617 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.2 mm? -54.64 -51.79 64.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.8 HD13 ' HG ' ' A' ' 77' ' ' LEU . 1.7 mp -63.89 -46.64 83.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -61.2 -24.92 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.651 ' HB3' HG22 ' A' ' 57' ' ' ILE . 90.5 m-20 -87.0 -62.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.662 HG23 HG11 ' A' ' 27' ' ' VAL . 31.9 m -52.04 -31.58 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.443 ' HA ' HG12 ' A' ' 27' ' ' VAL . 3.1 m170 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 121.407 0.448 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -172.89 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -77.66 150.98 37.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.3 p -179.29 153.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtm -149.58 116.8 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -131.33 178.34 6.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.06 147.06 44.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.611 ' CG1' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -112.33 138.01 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 4' ' ' ILE . 6.7 mt -132.78 151.15 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.34 114.0 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 8' ' ' THR . 96.0 m-85 -96.21 107.48 19.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -179.41 -178.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.539 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 21.4 ptt-85 -86.87 156.88 55.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.8 Cg_endo -69.71 -6.89 19.65 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -100.25 53.54 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 8.3 p -120.76 101.49 45.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.79 -7.84 22.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -92.19 -25.79 18.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.7 m -55.84 -25.35 41.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -49.67 -39.72 37.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -64.46 -53.74 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.26 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -57.25 -33.9 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -69.11 -39.9 78.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.646 HD22 ' CD1' ' A' ' 68' ' ' LEU . 3.6 tp -65.07 -46.5 80.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.612 HD13 ' HB3' ' A' ' 29' ' ' TYR . 4.6 mt -68.06 -47.85 67.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -63.07 -29.38 70.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -76.31 -39.0 55.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.674 ' CE ' HD11 ' A' ' 81' ' ' LEU . 11.3 mmtt -71.54 -32.0 67.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.15 49.84 1.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -125.16 172.65 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 111.109 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.12 105.73 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.612 ' HB3' HD13 ' A' ' 22' ' ' LEU . 38.2 p90 -97.47 144.63 27.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.2 m -107.88 117.73 34.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -84.44 121.43 27.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.408 HG21 ' CD1' ' A' ' 7' ' ' TYR . 28.9 mm -106.92 118.96 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.35 143.18 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.539 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.88 -17.54 51.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 t -49.6 104.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.0 p -54.45 -26.23 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.5 m -49.73 -31.4 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tp -121.9 -35.05 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -46.8 81.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -41.1 71.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -68.24 -49.47 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.3 -51.81 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.11 -33.73 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -61.94 -51.44 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.03 -12.7 59.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.15 -41.6 41.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.46 -43.96 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.13 27.92 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -176.24 173.21 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.81 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -145.3 143.21 30.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.75 -70.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -130.2 153.48 81.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.02 28.96 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.728 2.286 . . . . 0.0 112.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.73 178.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 64' ' ' GLY . 4.6 mp -97.35 118.73 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.97 139.97 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.611 HG22 ' CG1' ' A' ' 4' ' ' ILE . 11.5 pt -141.92 120.93 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.68 43.24 29.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 67.73 31.43 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -140.7 108.04 5.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -63.03 142.91 58.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.448 HG23 HG12 ' A' ' 57' ' ' ILE . 99.3 t -101.73 -69.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.6 -68.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.614 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -135.25 -174.84 13.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.434 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.28 -64.41 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -55.25 -25.72 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.53 -55.28 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.646 ' CD1' HD22 ' A' ' 21' ' ' LEU . 2.1 pp -52.08 -37.96 55.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.595 ' CE1' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.55 -51.04 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.01 82.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.82 -56.18 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.635 ' OE1' HD21 ' A' ' 21' ' ' LEU . 19.2 pt-20 -57.34 -27.8 62.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -86.43 -23.82 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -22.43 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.76 -1.2 4.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.91 11.33 16.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.715 ' HG ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -56.21 -39.69 72.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.72 -49.88 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.9 t -65.04 -49.21 71.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -54.9 -51.86 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.715 HD13 ' HG ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -61.32 -39.74 91.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -70.22 -23.43 62.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -85.3 -40.54 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 81' ' ' LEU . 33.7 m -77.96 -33.4 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 m170 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 121.461 0.478 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -171.51 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -63.65 98.9 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 77.9 p -148.23 119.91 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.356 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mtp -116.06 -25.27 7.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -144.83 178.28 8.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.6 148.17 37.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.606 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -106.4 137.71 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.585 HG23 ' HB ' ' A' ' 30' ' ' THR . 5.4 mt -138.94 114.5 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.03 130.56 35.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' HG23 ' A' ' 8' ' ' THR . 63.0 m-85 -107.15 107.43 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 179.91 173.89 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -87.57 156.61 53.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.09 7.25 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 65.72 13.56 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.3 p -84.96 114.56 56.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -16.17 37.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -78.13 -35.4 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.3 m -62.55 -24.73 67.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -49.35 -40.17 34.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -65.09 -53.3 47.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.29 -54.25 49.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -58.98 -33.98 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.29 -49.09 73.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 21' ' ' LEU . 9.9 tt -61.37 -47.58 85.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -58.68 -58.25 9.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.11 -37.33 69.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -65.17 -37.63 87.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' HG2' HD22 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -72.26 -32.41 66.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.52 46.5 1.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -126.69 171.8 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 111.104 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.57 106.56 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.655 ' HB3' HD23 ' A' ' 22' ' ' LEU . 36.0 p90 -92.73 145.93 24.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' HG23 ' A' ' 5' ' ' ILE . 55.1 m -105.34 124.67 49.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.26 122.87 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CE1' ' A' ' 7' ' ' TYR . 31.8 mm -109.18 116.67 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -63.38 143.72 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.65 -23.13 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.6 m -47.7 109.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -53.27 -25.72 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 t -49.24 -32.09 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 tp -125.59 -33.16 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.561 HH22 ' N ' ' A' ' 52' ' ' PHE . 1.4 tpt180 -65.56 -40.97 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -72.74 -44.28 61.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -66.72 -42.04 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.43 ' CE ' HD12 ' A' ' 32' ' ' ILE . 12.3 tpp -67.74 -52.31 38.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 p -61.51 -30.11 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.39 -48.31 42.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -78.33 -9.93 59.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 -40.73 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.668 ' ND2' ' H ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -111.03 -45.0 3.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.26 -38.52 1.85 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.668 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -175.49 105.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.851 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -152.85 154.78 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 t -146.79 17.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' N ' HH22 ' A' ' 39' ' ' ARG . 25.0 m-85 -117.23 148.27 42.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.86 46.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.74 178.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.542 HD13 HD23 ' A' ' 68' ' ' LEU . 8.4 mt -108.97 125.23 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.56 135.86 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.535 HG22 HG12 ' A' ' 4' ' ' ILE . 7.0 pt -144.52 122.93 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.42 42.89 19.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 66.72 34.26 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -142.77 112.83 7.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -68.94 142.63 54.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.465 HG23 HG12 ' A' ' 57' ' ' ILE . 94.5 t -109.63 -70.5 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.1 -134.14 5.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.527 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -57.01 -179.25 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.518 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.518 ' HA ' HD11 ' A' ' 55' ' ' ILE . 3.9 m -76.34 -56.54 4.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -54.99 -25.82 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.58 -55.14 24.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.542 HD23 HD13 ' A' ' 55' ' ' ILE . 1.9 pp -53.93 -37.6 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -52.88 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.05 -52.53 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.43 -46.68 86.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -56.12 -39.6 72.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -80.94 -20.35 42.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -22.46 42.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.08 -4.48 3.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -79.15 -0.35 31.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.466 HD11 HD11 ' A' ' 81' ' ' LEU . 1.8 tp -49.32 -46.94 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -53.08 -43.8 67.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 t -72.58 -52.86 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 57' ' ' ILE . 2.9 mm? -53.37 -52.99 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.485 HD22 ' HG2' ' A' ' 25' ' ' LYS . 30.9 mt -61.11 -51.64 68.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -59.23 -22.34 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -82.3 -52.46 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.606 HG12 ' HB ' ' A' ' 4' ' ' ILE . 18.3 m -65.52 -22.78 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 121.427 0.46 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 144.98 55.39 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -146.26 -172.81 16.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 27.0 m -116.22 126.01 53.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ttt -100.5 130.72 46.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -65.69 114.21 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.15 144.56 47.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.761 ' HB ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -96.66 138.36 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.0 mt -133.6 150.95 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -128.71 114.62 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 8' ' ' THR . 97.3 m-85 -94.8 110.68 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -178.63 -178.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 11.2 ptm180 -87.15 158.92 52.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 9' ' ' ARG . 53.9 Cg_endo -69.81 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -106.19 55.89 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 5.3 p -113.72 98.53 47.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.74 -6.92 19.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -102.62 -41.47 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -54.58 -23.25 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -48.61 -39.15 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -62.36 -40.15 95.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.576 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -64.56 -54.6 29.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.449 ' HA ' HD12 ' A' ' 22' ' ' LEU . 16.8 ptm180 -59.18 -32.09 69.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -71.43 -43.24 67.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.666 HD11 ' HG3' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -61.38 -48.77 79.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.527 HD22 HG21 ' A' ' 4' ' ' ILE . 1.2 mt -65.0 -57.23 9.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -52.51 -35.51 53.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -77.81 -28.41 50.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -31.89 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.69 54.24 0.65 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.584 HG21 ' HB ' ' A' ' 84' ' ' VAL . 3.1 m -146.46 177.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.353 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -118.6 106.21 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.565 ' CD1' HD21 ' A' ' 6' ' ' LEU . 37.1 p90 -92.34 145.37 24.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.7 m -104.97 115.76 30.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -84.83 125.56 32.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.424 HG21 ' CD1' ' A' ' 7' ' ' TYR . 50.9 mm -109.36 117.35 54.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.6 142.81 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB2' ' N ' ' A' ' 9' ' ' ARG . . . -60.48 -18.54 52.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -50.91 114.74 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.584 HG22 ' CZ ' ' A' ' 39' ' ' ARG . 68.5 p -66.48 -24.74 66.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 p -49.9 -31.45 12.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -123.18 -35.21 3.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' CZ ' HG22 ' A' ' 36' ' ' THR . 6.0 ttp180 -61.41 -39.95 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -58.78 -40.04 82.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -70.75 -49.62 44.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.421 ' CE ' HD12 ' A' ' 32' ' ' ILE . 5.8 tpp -59.73 -51.46 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 39' ' ' ARG . 8.5 p -63.21 -35.04 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -61.48 -50.19 73.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -81.33 -11.35 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.4 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -113.53 -38.62 4.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.23 23.71 3.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -174.97 165.76 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.67 132.73 50.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.64 -170.61 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 10.6 p90 -59.63 157.8 25.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 52' ' ' PHE . 53.3 Cg_endo -69.77 159.05 54.84 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.249 . . . . 0.0 112.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -175.02 -178.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.53 HD13 ' O ' ' A' ' 64' ' ' GLY . 5.4 mp -94.17 119.15 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.29 148.9 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.8 mt -137.28 91.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.78 -86.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -130.44 15.39 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -128.97 129.92 46.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -99.49 116.73 32.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.72 -74.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.95 -8.65 7.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.53 ' O ' HD13 ' A' ' 55' ' ' ILE . . . -174.9 169.03 41.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.8 m -82.35 -51.7 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.36 -25.37 23.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.5 -40.67 66.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -69.61 -37.37 76.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.429 ' CD1' HD11 ' A' ' 68' ' ' LEU . 16.7 m-85 -71.77 -52.9 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.12 -52.27 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 ' HE2' ' A' ' 74' ' ' LYS . 79.7 mt -57.86 -47.44 82.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.666 ' HG3' HD11 ' A' ' 21' ' ' LEU . 6.6 tm-20 -56.41 -39.32 72.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -85.3 -12.32 52.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.496 ' HE2' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -86.27 -22.87 26.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.33 -6.73 3.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HG3' HD22 ' A' ' 71' ' ' LEU . 40.0 mmtt -77.09 -2.16 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -52.48 -43.53 65.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -51.75 -44.7 63.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -68.76 -50.06 53.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.683 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.9 mm? -54.73 -47.55 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.12 -47.39 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -61.64 -24.96 67.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -86.36 -62.21 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.761 HG12 ' HB ' ' A' ' 4' ' ' ILE . 27.7 m -52.01 -30.7 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.182 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.0 m170 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.906 . . . . . . . . 0 0 . 1 stop_ save_