data_2kmu_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 2kmu _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.2 ptm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.755 0.312 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.4 -45.78 78.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -67.12 -50.11 62.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.49 -42.06 91.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.64 -48.29 75.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.04 -49.21 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.66 -53.27 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.88 -48.78 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -65.97 -42.79 89.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -45.86 91.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -50.2 67.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.97 -64.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.9 -41.74 71.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -52.08 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -51.91 -31.99 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -55.12 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.61 74.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.87 -65.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -68.84 -12.26 61.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -48.99 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -96.62 -50.53 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -64.82 -43.1 94.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.07 32.38 27.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 176.77 173.32 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -47.62 140.91 7.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 175.51 8.02 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.665 2.243 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.42 163.07 22.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.87 -21.49 43.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.73 -47.53 59.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.57 -32.9 31.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -69.12 -47.57 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.66 -10.33 59.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.2 -29.58 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.57 161.23 51.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 177.86 5.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.42 -59.13 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -50.11 -58.39 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.9 m -55.78 -45.18 78.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -52.85 -46.27 67.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.41 84.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.87 -50.51 73.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -61.42 -54.43 43.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -60.35 -25.53 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -70.82 -59.68 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -68.39 -26.13 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -42.86 57.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 91.0 m -72.43 -36.27 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -41.76 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -71.13 -40.81 71.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -68.93 -49.22 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 ptt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.779 0.323 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.09 -51.19 70.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.9 mmt-85 -58.37 -48.4 80.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -59.72 -52.43 65.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -58.67 -46.74 86.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -61.82 -61.09 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -53.42 -57.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -51.95 -42.2 62.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -66.83 -40.74 88.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -60.8 -46.62 89.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -50.83 64.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -51.63 -63.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.58 -42.04 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -51.56 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.3 -33.69 29.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -53.99 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.2 77.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.76 -67.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -13.2 43.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -75.24 -42.32 55.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -96.48 -44.05 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.3 mmt-85 -73.98 -44.94 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.74 32.94 70.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 177.0 -175.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.7 152.41 2.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.5 7.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 t -135.47 157.24 47.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -57.51 -20.88 34.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -47.72 53.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.72 -31.64 31.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.9 t -70.73 -48.76 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.65 -8.41 56.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.24 -34.24 63.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.62 160.87 52.52 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -177.8 2.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.363 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.94 -59.67 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -49.47 -54.7 16.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.4 m -57.48 -47.11 82.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -54.88 -37.36 66.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.16 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.046 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.76 -45.43 93.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -60.71 -56.52 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.95 -25.12 68.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -67.55 -62.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -67.49 -26.21 66.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -73.04 -40.49 65.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.4 m -74.47 -38.33 62.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.02 -38.43 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -73.96 -43.5 57.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -67.36 -42.4 83.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.6 ptt? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.76 0.314 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.41 -44.47 89.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -63.91 -57.41 9.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.0 tp -56.09 -37.39 69.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -64.39 -52.55 57.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -62.73 -46.35 88.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.72 -59.92 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -52.09 -42.6 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -67.32 -41.49 85.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -60.71 -45.69 93.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -51.48 59.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -51.5 -62.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.59 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -52.17 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -52.38 -33.25 42.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -74.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.21 79.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -50.53 -66.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -64.28 -13.8 51.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.34 -41.51 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -96.24 -43.92 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -76.53 -58.77 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.0 33.04 60.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 176.74 -167.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.96 154.5 1.86 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.594 0.711 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -153.56 155.21 35.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -21.16 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -47.76 50.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -30.43 34.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.5 t -71.9 -47.47 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -75.55 -9.5 58.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.32 -37.43 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.46 161.24 52.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -172.26 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -48.52 21.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.5 m -62.79 -44.87 95.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -37.8 70.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.67 -50.86 47.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.74 -45.21 94.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -61.39 -57.84 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -61.3 -25.17 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -67.99 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -66.38 -26.5 67.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -46.79 43.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.6 m -67.21 -38.11 84.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.42 -40.94 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -74.14 -25.69 59.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -84.7 -33.7 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -51.91 -42.12 62.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -66.93 -37.72 84.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -57.07 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.84 -36.62 83.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.04 -56.78 9.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.59 -48.2 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -56.09 -49.81 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.39 -43.49 85.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.78 -45.26 92.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -50.92 64.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -51.93 -63.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.26 70.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -51.77 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -51.99 -32.44 33.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -55.61 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.65 -31.13 72.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.17 -69.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -63.97 -16.95 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -76.01 -41.69 50.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -96.34 -56.27 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -64.1 -44.7 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.78 34.71 65.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 176.96 -175.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.41 151.91 3.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 176.48 6.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.58 156.19 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -56.78 -21.5 28.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -71.49 -47.82 53.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -31.52 36.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.75 -46.39 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -75.57 -10.68 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.67 63.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.5 161.2 52.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.631 0.729 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.09 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -62.0 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -48.67 -54.14 15.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.1 m -56.59 -47.36 79.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -41.2 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -50.7 65.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -46.25 91.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -61.9 -58.28 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -59.48 -25.15 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -69.06 -60.88 2.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -68.41 -27.13 65.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -45.62 50.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.2 m -70.06 -36.79 75.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.6 -44.71 70.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -30.41 65.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -48.27 52.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.6 ttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.717 0.294 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.19 -45.4 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -62.11 -43.21 99.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.43 -44.02 92.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -63.47 -47.19 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.05 -52.22 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.45 -57.57 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -51.81 -42.44 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.45 -40.31 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -60.84 -47.2 87.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.61 -49.89 69.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -51.82 -64.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.35 73.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -52.14 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -31.66 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.39 -73.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.97 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -53.59 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -64.31 -12.52 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -54.72 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -96.73 -41.07 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -69.1 -55.95 9.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.83 41.43 91.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 176.56 -171.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 158.81 1.64 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -175.96 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.42 153.11 38.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -54.7 -23.64 18.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -42.11 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -37.54 28.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.72 -47.16 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.16 -6.68 50.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.62 24.84 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.62 161.09 30.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 174.14 9.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.03 -57.6 12.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -50.38 -56.13 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -57.51 -41.73 81.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -47.24 85.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.35 97.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.06 -53.46 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -61.54 -53.13 60.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -25.66 64.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.78 -61.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -65.27 -26.39 68.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -75.25 -47.64 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.2 m -66.23 -36.44 83.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.2 -42.83 59.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -72.1 -25.26 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -84.5 -38.3 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.5 ptp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.745 0.307 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -59.92 -43.57 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -66.32 -39.95 89.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.81 -56.86 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -61.27 -38.79 88.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.69 -59.34 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.24 -48.4 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -55.43 -48.15 74.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.88 -43.43 83.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.08 -45.69 92.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -51.92 60.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -51.99 -63.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.15 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -52.82 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -51.64 -29.68 18.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -59.71 -75.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.62 74.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.86 -64.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -69.56 -10.21 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -75.53 -47.83 25.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -96.67 -40.76 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -61.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.16 43.26 81.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.57 -168.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -58.25 155.23 27.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.85 3.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.1 m -142.05 155.19 45.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -56.56 -21.57 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.6 -47.53 47.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.87 -29.1 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.7 t -73.51 -45.78 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.45 -11.13 59.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.36 62.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.48 160.67 53.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.71 -176.24 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.38 -62.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -48.25 -56.3 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 90.8 m -55.89 -44.83 78.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -55.47 -41.59 73.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.66 -49.84 69.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.63 -47.06 87.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -60.92 -56.36 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -25.79 67.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -67.83 -55.93 11.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -69.67 -26.63 64.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -43.05 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.3 m -72.57 -44.4 62.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -45.89 87.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -50.14 64.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -53.39 -53.75 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.73 0.3 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.43 -47.68 81.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -28.07 65.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -52.52 48.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -33.44 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.32 -54.47 12.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.9 -42.91 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -63.96 -47.84 78.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -66.26 -42.36 88.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -46.3 90.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -50.87 66.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -52.03 -64.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.21 -41.94 69.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -52.3 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -51.51 -30.79 21.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -74.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.7 -30.83 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -56.41 -65.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -11.27 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -47.09 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -96.61 -40.18 9.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.29 -57.82 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.57 92.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.52 -169.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 148.59 75.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 167.94 23.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.82 159.3 29.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -57.96 -20.85 41.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.08 -48.28 53.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -32.66 31.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.52 -50.51 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.68 -6.56 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.07 -35.72 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.63 160.33 53.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -179.87 3.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -58.88 -47.41 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.89 -59.37 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.7 m -54.91 -45.09 74.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -55.71 -46.06 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.14 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.04 -50.4 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -59.21 -55.93 28.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -25.34 66.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.61 -63.65 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -65.71 -26.22 67.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -73.68 -45.45 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 m -67.91 -39.11 83.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.65 -40.79 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 -27.93 61.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -78.31 -41.31 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.868 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 tmm? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.733 0.301 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.95 -51.52 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -64.71 -33.3 75.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -61.38 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -34.44 76.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -66.14 -57.96 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.36 -46.64 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -56.2 -51.78 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -65.36 -42.81 92.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -59.71 -45.54 91.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -50.63 66.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -51.74 -63.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.05 -41.99 72.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -51.57 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -51.04 -33.01 23.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.57 78.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -49.99 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -64.7 -13.91 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -41.68 56.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -96.14 -43.75 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -77.35 -50.63 12.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.72 29.02 74.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 177.05 -174.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 143.63 6.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 167.78 23.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.39 159.35 25.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -20.76 36.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -47.91 51.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -30.77 31.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.1 t -71.4 -47.68 57.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -9.75 58.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.33 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.61 160.63 53.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -176.7 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.44 -61.72 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.7 -55.67 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.8 m -54.47 -49.99 68.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -53.59 -36.22 61.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.63 -52.6 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.55 -43.59 98.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -60.48 -58.26 9.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -62.68 -25.19 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -65.75 -26.7 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -46.81 36.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.1 m -68.2 -33.42 74.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -44.04 51.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -24.31 61.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -84.61 -38.34 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.755 0.312 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -53.99 -51.22 64.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -34.35 77.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -60.74 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -62.28 -35.11 77.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.68 -58.26 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.81 -48.64 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -50.72 68.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -42.69 92.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -59.66 -46.25 89.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.5 -49.49 71.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -52.08 -64.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.29 -41.49 72.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -51.52 -76.08 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -51.74 -33.51 35.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.49 -34.33 77.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -49.51 -65.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -67.8 -11.67 58.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -75.29 -49.44 19.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -95.99 -48.39 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -64.73 -50.41 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.85 29.48 67.68 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 178.1 169.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.348 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.98 142.45 2.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 166.15 28.53 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.77 161.26 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -58.11 -21.02 44.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.89 -47.75 57.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.9 -32.59 30.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.9 t -69.45 -47.87 70.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.52 -9.89 58.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.02 -28.93 61.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.54 161.67 50.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -174.7 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -64.0 -60.54 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.98 -49.38 40.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.1 m -61.81 -44.81 96.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -38.04 73.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -51.0 49.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.4 -44.82 95.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.47 -56.15 24.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -63.34 -25.29 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.45 -56.14 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -70.61 -26.45 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -72.3 -42.0 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -75.17 -38.59 60.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.97 -39.46 75.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -44.92 54.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -37.24 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.5 ttm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.758 0.314 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -55.72 -52.13 64.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -60.71 -37.65 82.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -54.68 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -44.52 93.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -61.78 -60.89 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t -55.23 -49.83 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.56 -32.69 71.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.63 -57.39 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -56.16 -37.88 70.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -55.53 18.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -51.62 -59.32 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.24 -43.06 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -52.0 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.26 -34.25 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -53.47 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -34.68 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -49.66 -65.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -67.29 -11.73 58.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -49.81 18.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -95.91 -48.28 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.49 -41.38 96.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.97 31.19 17.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.37 176.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.14 145.51 2.55 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 171.3 14.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.33 160.03 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -21.24 40.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.69 -47.34 60.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.38 -32.77 29.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.08 -48.11 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.64 -10.58 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.6 -29.23 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.59 161.26 51.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.63 3.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.331 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.97 -61.78 2.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -48.38 -55.91 9.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.4 m -57.25 -41.97 80.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -42.44 78.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.7 65.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.49 -51.21 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -56.94 -51.07 70.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.05 -25.82 68.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.6 -60.18 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -67.73 -26.42 66.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -43.23 64.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.1 m -71.97 -37.99 69.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mp -72.23 -37.02 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -71.58 -46.61 58.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -42.59 83.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.914 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.736 0.303 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -51.82 -41.95 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -38.18 86.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.95 -55.71 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -64.12 -36.21 83.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -66.37 -54.44 24.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.02 -47.99 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -56.53 -51.54 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.08 -42.27 89.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.88 -46.6 88.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -51.49 63.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -51.63 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.35 -43.29 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -51.18 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.49 -32.46 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -74.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.85 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -51.12 -66.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -12.83 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -41.86 51.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -96.48 -44.37 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -72.94 -42.04 63.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.66 31.11 63.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 176.82 -169.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.19 150.03 8.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.83 26.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.747 2.298 . . . . 0.0 112.33 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 m -123.75 157.18 34.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.55 -20.75 34.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.37 -44.72 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.71 -33.0 23.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.2 t -70.0 -49.89 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.66 -7.66 54.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.39 -32.45 62.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.78 161.05 51.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -175.65 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -59.88 -59.9 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.38 -55.35 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.1 m -56.84 -49.61 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -52.87 -37.84 60.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.31 -51.87 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.64 -49.29 78.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -57.24 -55.9 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -62.87 -23.81 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.42 -64.2 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -67.08 -26.27 66.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -71.81 -40.63 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 85.0 m -74.65 -39.93 61.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.13 -37.78 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -74.78 -46.03 39.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -65.78 -36.38 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.687 0.28 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.96 -45.84 89.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -66.51 -46.21 77.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -53.82 52.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -59.53 -43.34 93.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -63.48 -60.47 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.45 -55.16 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -51.92 -46.38 64.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.47 -39.11 91.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -61.51 -49.64 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -48.73 77.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -53.9 -66.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.72 -40.31 62.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -53.65 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.25 -28.69 59.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -67.39 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.13 -32.85 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -60.65 -62.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -67.21 -11.27 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -45.47 44.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.71 -40.04 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt-85 -75.59 -74.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.11 43.5 6.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.41 -169.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.323 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.7 152.26 37.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 179.0 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.0 158.87 43.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -25.53 37.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -41.44 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -35.52 47.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.18 -38.71 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.71 -13.01 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.92 29.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.88 162.24 26.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.566 0.698 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 179.63 3.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.371 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.28 -60.55 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.75 -54.64 14.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.7 m -59.91 -43.44 94.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.191 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -53.77 -44.89 70.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 -47.64 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.3 -50.71 68.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -63.19 -61.49 2.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -52.43 -25.8 10.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.11 -60.77 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -65.42 -27.53 68.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -47.36 25.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.7 m -63.76 -40.18 96.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.91 -44.56 65.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -49.53 66.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -62.43 -59.38 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.888 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.77 0.319 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.89 -41.21 61.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -64.69 -55.89 17.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.55 -37.31 67.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -65.13 -54.68 26.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -60.68 -43.99 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.04 -61.88 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.56 -33.19 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -68.98 -48.87 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -41.29 85.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.97 -52.86 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -51.48 -61.0 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.2 78.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -52.06 -75.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.76 -34.3 38.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.75 78.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -50.04 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -65.29 -12.23 49.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -53.98 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -96.38 -42.98 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -47.52 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.14 33.57 30.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.52 171.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.4 140.64 5.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.833 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.92 29.37 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.82 160.76 17.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.45 -21.66 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.28 -46.26 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -35.32 26.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -67.19 -49.47 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.66 -8.28 56.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.23 -30.55 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.46 161.1 52.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.54 0.685 . . . . 0.0 111.147 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 179.24 3.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.6 -58.75 6.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.94 -54.25 21.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -57.41 -48.25 79.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.68 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.33 -51.49 56.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.12 -50.5 73.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -57.13 -52.9 63.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -62.8 -25.36 68.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.93 -55.58 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -69.35 -26.46 64.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -42.33 60.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.2 m -73.61 -36.33 65.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.15 -40.8 64.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -41.96 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -68.28 -46.84 69.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.891 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.723 0.297 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.67 -42.47 92.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -67.45 -43.35 81.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.08 -53.0 61.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -40.25 96.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.68 -55.66 18.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.71 -53.32 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -52.61 -48.58 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -42.6 89.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -59.98 -46.2 90.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -50.11 68.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -52.03 -64.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.08 -41.26 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -52.73 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -51.05 -31.29 18.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -56.95 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.47 -28.07 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -58.39 -70.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -63.34 -17.07 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mmm-85 -76.69 -38.2 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -96.23 -50.46 4.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -67.63 -51.76 46.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.28 64.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.58 -169.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -56.61 154.66 16.6 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 177.65 5.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.73 156.07 47.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -57.22 -20.96 30.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.8 -46.42 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -30.48 28.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.8 t -71.96 -46.55 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.65 -10.87 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.27 -32.2 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.57 161.35 51.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.553 0.692 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -172.87 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.259 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.03 -62.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -47.98 -49.66 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.9 m -61.11 -46.81 89.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -37.57 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.11 -50.68 53.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.33 -44.81 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -60.7 -56.02 26.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -63.78 -24.8 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.6 -60.96 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -69.0 -26.28 64.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.73 -41.75 64.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.2 m -73.38 -41.2 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -68.16 -42.14 80.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -70.32 -44.13 68.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -63.86 -40.48 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.728 0.299 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -51.78 -42.03 62.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -64.06 -45.9 86.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.17 -42.46 98.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.01 -44.11 90.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -66.67 -48.8 68.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.61 -50.29 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -57.12 -51.6 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -63.9 -39.73 94.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -65.24 -37.46 87.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -61.92 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -48.71 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.8 95.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -52.66 -66.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.52 -33.23 69.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.39 -70.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.64 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -56.94 -69.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -16.95 54.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.61 -47.85 21.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -96.42 -59.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.6 mmt-85 -63.05 -54.56 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.96 38.87 76.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.98 160.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.46 126.32 7.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.98 36.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.715 2.276 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.81 163.41 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.61 -21.91 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.06 -44.96 71.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -37.54 21.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.55 -50.76 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -7.04 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.68 -25.36 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.61 162.05 49.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -179.76 3.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.23 . . . . 0.0 112.343 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.32 -62.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.95 -55.83 9.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.4 m -57.13 -44.48 83.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -54.86 -40.82 70.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.16 -51.12 57.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.64 -47.57 85.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -60.32 -61.82 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -55.64 -25.55 39.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.99 -57.82 4.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -66.63 -26.36 67.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -43.26 51.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 98.4 m -70.56 -35.67 73.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.27 -42.4 55.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -70.06 -35.92 74.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -76.29 -44.49 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.902 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -52.12 -51.87 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -57.65 -59.67 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -34.64 41.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -52.62 51.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.6 -43.26 97.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.31 -60.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -52.16 -43.91 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -42.03 83.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -61.12 -47.55 85.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.78 -54.31 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -51.67 -64.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -44.77 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -51.0 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -50.19 -31.4 13.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -73.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.18 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -57.26 -70.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.54 -14.96 56.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.7 ttm-85 -72.92 -48.04 40.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -96.99 -55.79 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -67.27 -68.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 35.24 53.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 176.6 165.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -44.64 121.07 4.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -169.58 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.234 . . . . 0.0 112.34 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -126.21 -177.46 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -66.76 -18.26 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.77 -48.84 52.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -76.45 -31.08 57.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -69.94 -49.37 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -76.13 -5.85 48.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.92 -30.52 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.51 161.03 52.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -177.06 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.98 -61.36 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -57.71 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.1 m -55.79 -40.34 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -45.9 84.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.52 -51.76 67.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.31 -45.78 93.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.16 -60.27 3.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -25.2 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -71.08 -54.94 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.0 -27.34 62.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -74.27 -45.6 46.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.8 m -71.34 -38.51 71.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.8 -44.55 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -68.38 -41.58 80.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.22 -40.67 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.4 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 -179.874 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.763 0.316 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.93 -41.66 62.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -64.3 -54.93 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -39.75 74.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -54.05 44.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -61.06 -49.73 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.2 t -59.12 -58.28 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -51.79 -42.1 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -67.82 -41.19 83.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -61.5 -47.77 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -54.65 30.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -51.6 -63.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.12 -44.6 64.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -51.09 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -49.8 -31.19 11.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -73.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.55 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -60.73 -71.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -62.43 -15.33 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -57.86 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -97.01 -47.38 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.87 -68.6 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.81 35.26 84.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 176.58 163.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.28 123.05 5.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.21 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.3 p -126.3 -176.48 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -67.99 -18.88 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.94 -46.58 62.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -77.49 -35.57 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.84 -50.05 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -4.85 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.74 -31.83 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.45 160.95 52.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 175.8 7.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.15 -48.11 81.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.02 -62.88 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.4 m -54.93 -38.27 67.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -57.04 -51.1 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.51 -50.64 73.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.89 -51.46 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -56.69 18.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -55.54 -25.71 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.48 -56.41 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -70.21 -27.65 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -49.86 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 91.9 m -66.77 -35.32 79.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.8 mt -73.67 -43.5 59.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -27.0 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -82.56 -37.15 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.73 0.3 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.95 -50.51 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -61.42 -35.87 78.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.32 -54.32 38.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -36.66 84.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.52 -56.0 11.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.0 t -62.2 -48.3 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -52.77 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.24 -39.71 95.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -65.0 -37.73 88.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -62.59 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -48.9 55.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.67 95.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 30.4 t-105 -52.28 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -55.05 -35.72 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -52.98 -72.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.16 82.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -51.73 -71.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -59.27 -17.67 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -46.15 74.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -96.0 -44.09 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -70.29 -57.29 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.03 33.17 78.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.03 -175.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 146.79 6.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.41 5.59 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.5 151.05 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -50.54 -28.83 9.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.94 -47.35 65.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -70.54 -26.29 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.01 -32.14 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -14.18 59.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.83 -36.49 67.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.79 160.29 53.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.74 -174.87 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.76 -63.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -53.93 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 97.4 m -58.06 -42.43 85.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -56.7 -41.63 77.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.02 70.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.18 -50.51 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -57.49 -54.33 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -25.11 67.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.09 -61.38 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -68.39 -26.37 65.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -41.63 64.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.9 m -73.35 -39.19 65.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.7 -40.15 73.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -72.5 -40.32 66.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -66.78 -48.15 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -52.23 -46.85 65.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.8 mmt-85 -62.26 -51.67 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.66 -39.21 76.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 ttp85 -63.94 -51.28 65.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -63.01 -47.99 80.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.5 t -61.72 -59.43 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -52.16 -42.22 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.75 -41.12 83.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -48.03 82.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.8 -54.55 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -51.67 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.33 -45.21 62.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.6 t-105 -50.9 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.62 -30.33 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -72.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -68.23 -24.8 64.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.12 -68.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -66.27 -12.22 55.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 2.9 mmt180 -75.63 -45.29 38.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -96.4 -42.84 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -86.56 -76.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.47 34.39 12.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.79 167.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -44.65 117.5 3.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -169.78 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 p -123.14 -176.36 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -67.05 -17.62 64.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -71.28 -45.29 63.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -79.32 -28.6 42.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.54 -49.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -5.38 47.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.65 -30.83 63.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.64 160.96 52.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.058 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -175.94 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.741 2.294 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -62.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.5 -56.78 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.6 m -56.25 -40.62 74.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.72 -44.59 86.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.99 -52.64 63.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -44.47 96.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.4 -61.1 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -25.11 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.29 -57.26 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.22 -27.37 63.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -48.16 27.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 91.0 m -69.24 -36.64 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mt -71.49 -44.2 65.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -39.8 80.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -52.02 47.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.3 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.795 0.331 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.85 -41.59 61.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -38.82 88.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -57.21 11.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -61.51 -37.57 84.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -65.59 -58.74 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.27 -50.83 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -54.02 -51.56 63.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.7 -42.22 98.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -59.76 -48.64 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -47.53 83.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -52.98 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.55 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -51.29 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -56.31 -30.87 63.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.4 78.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -50.5 -65.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -66.9 -10.75 52.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -75.28 -47.36 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -97.73 -43.9 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -74.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.94 29.15 21.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.511 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 176.9 151.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.07 133.38 4.23 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.64 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.11 172.28 8.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.22 -19.73 55.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.61 -49.51 25.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -26.66 52.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.0 t -77.84 -39.42 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -75.9 -12.31 60.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.49 -23.63 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.87 162.75 46.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -178.62 2.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -60.26 -65.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.47 -56.82 5.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.0 m -56.17 -46.74 79.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -51.66 -42.23 61.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.94 -53.14 43.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.7 -52.53 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -55.38 -55.57 30.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -26.1 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.73 -60.11 2.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -68.88 -26.15 64.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -74.71 -45.2 45.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 84.0 m -68.69 -39.65 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.66 -44.26 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -63.46 -48.59 77.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -63.23 -53.9 45.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.3 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -88.72 86.73 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.2 ptm -80.46 -39.98 27.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.4 -45.78 78.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -67.12 -50.11 62.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.49 -42.06 91.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.64 -48.29 75.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.04 -49.21 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.66 -53.27 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.88 -48.78 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -65.97 -42.79 89.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -45.86 91.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -50.2 67.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.97 -64.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.9 -41.74 71.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -52.08 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -51.91 -31.99 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -55.12 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.61 74.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.87 -65.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -68.84 -12.26 61.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -48.99 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -96.62 -50.53 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -64.82 -43.1 94.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.07 32.38 27.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 176.77 173.32 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -47.62 140.91 7.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 175.51 8.02 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.665 2.243 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.42 163.07 22.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.87 -21.49 43.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.73 -47.53 59.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.57 -32.9 31.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -69.12 -47.57 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.66 -10.33 59.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.2 -29.58 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.57 161.23 51.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 177.86 5.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.42 -59.13 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -50.11 -58.39 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.9 m -55.78 -45.18 78.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -52.85 -46.27 67.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.41 84.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.87 -50.51 73.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -61.42 -54.43 43.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -60.35 -25.53 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -70.82 -59.68 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -68.39 -26.13 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -42.86 57.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 91.0 m -72.43 -36.27 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -41.76 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -71.13 -40.81 71.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -68.93 -49.22 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -64.17 -53.49 48.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.4 m -65.04 -59.13 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.05 19.98 15.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -52.09 -40.87 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -52.52 -34.72 51.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.09 -51.19 70.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.9 mmt-85 -58.37 -48.4 80.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -59.72 -52.43 65.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -58.67 -46.74 86.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -61.82 -61.09 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -53.42 -57.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -51.95 -42.2 62.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -66.83 -40.74 88.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -60.8 -46.62 89.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -50.83 64.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -51.63 -63.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.58 -42.04 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -51.56 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.3 -33.69 29.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -53.99 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.2 77.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.76 -67.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -13.2 43.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -75.24 -42.32 55.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -96.48 -44.05 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.3 mmt-85 -73.98 -44.94 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.74 32.94 70.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 177.0 -175.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.7 152.41 2.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.5 7.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 t -135.47 157.24 47.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -57.51 -20.88 34.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -47.72 53.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.72 -31.64 31.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.9 t -70.73 -48.76 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.65 -8.41 56.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.24 -34.24 63.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.62 160.87 52.52 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -177.8 2.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.363 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.94 -59.67 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -49.47 -54.7 16.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.4 m -57.48 -47.11 82.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -54.88 -37.36 66.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.16 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.046 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.76 -45.43 93.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -60.71 -56.52 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.95 -25.12 68.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -67.55 -62.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -67.49 -26.21 66.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -73.04 -40.49 65.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.4 m -74.47 -38.33 62.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.02 -38.43 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -73.96 -43.5 57.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -67.36 -42.4 83.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.9 m -70.77 -55.3 8.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.8 m -64.95 -61.55 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.04 18.88 11.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.835 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.36 41.97 12.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -109.77 -38.17 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.41 -44.47 89.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -63.91 -57.41 9.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.0 tp -56.09 -37.39 69.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -64.39 -52.55 57.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -62.73 -46.35 88.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.72 -59.92 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -52.09 -42.6 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -67.32 -41.49 85.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -60.71 -45.69 93.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -51.48 59.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -51.5 -62.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.59 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -52.17 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -52.38 -33.25 42.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -74.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.21 79.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -50.53 -66.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -64.28 -13.8 51.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.34 -41.51 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -96.24 -43.92 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -76.53 -58.77 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.0 33.04 60.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 176.74 -167.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.96 154.5 1.86 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.594 0.711 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -153.56 155.21 35.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -21.16 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -47.76 50.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -30.43 34.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.5 t -71.9 -47.47 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -75.55 -9.5 58.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.32 -37.43 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.46 161.24 52.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -172.26 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -48.52 21.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.5 m -62.79 -44.87 95.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -37.8 70.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.67 -50.86 47.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.74 -45.21 94.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -61.39 -57.84 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -61.3 -25.17 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -67.99 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -66.38 -26.5 67.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -46.79 43.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.6 m -67.21 -38.11 84.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.42 -40.94 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -74.14 -25.69 59.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -84.7 -33.7 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.0 t -82.67 -30.88 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.0 t -70.26 -24.66 63.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.42 41.41 77.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.852 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -95.03 -34.27 12.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -58.28 9.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -51.91 -42.12 62.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -66.93 -37.72 84.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -57.07 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.84 -36.62 83.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.04 -56.78 9.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.59 -48.2 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -56.09 -49.81 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.39 -43.49 85.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.78 -45.26 92.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -50.92 64.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -51.93 -63.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.26 70.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -51.77 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -51.99 -32.44 33.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -55.61 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.65 -31.13 72.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.17 -69.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -63.97 -16.95 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -76.01 -41.69 50.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -96.34 -56.27 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -64.1 -44.7 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.78 34.71 65.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 176.96 -175.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.41 151.91 3.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 176.48 6.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.58 156.19 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -56.78 -21.5 28.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -71.49 -47.82 53.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -31.52 36.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.75 -46.39 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -75.57 -10.68 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.67 63.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.5 161.2 52.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.631 0.729 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.09 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -62.0 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -48.67 -54.14 15.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.1 m -56.59 -47.36 79.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -41.2 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -50.7 65.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -46.25 91.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -61.9 -58.28 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -59.48 -25.15 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -69.06 -60.88 2.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -68.41 -27.13 65.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -45.62 50.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.2 m -70.06 -36.79 75.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.6 -44.71 70.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -30.41 65.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -48.27 52.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p -75.22 -57.48 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 m -64.65 -51.35 63.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.7 39.07 3.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -61.5 -176.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.6 ttt 72.12 -68.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.19 -45.4 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -62.11 -43.21 99.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.43 -44.02 92.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -63.47 -47.19 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.05 -52.22 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.45 -57.57 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -51.81 -42.44 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.45 -40.31 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -60.84 -47.2 87.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.61 -49.89 69.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -51.82 -64.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.35 73.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -52.14 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -31.66 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.39 -73.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.97 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -53.59 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -64.31 -12.52 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -54.72 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -96.73 -41.07 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -69.1 -55.95 9.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.83 41.43 91.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 176.56 -171.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 158.81 1.64 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -175.96 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.42 153.11 38.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -54.7 -23.64 18.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -42.11 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -37.54 28.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.72 -47.16 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.16 -6.68 50.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.62 24.84 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.62 161.09 30.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 174.14 9.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.03 -57.6 12.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -50.38 -56.13 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -57.51 -41.73 81.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -47.24 85.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.35 97.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.06 -53.46 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -61.54 -53.13 60.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -25.66 64.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.78 -61.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -65.27 -26.39 68.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -75.25 -47.64 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.2 m -66.23 -36.44 83.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.2 -42.83 59.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -72.1 -25.26 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -84.5 -38.3 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 t -77.02 -31.03 56.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 t -76.18 -23.09 54.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.41 -39.43 3.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.75 38.58 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.832 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.5 ptp -103.88 -38.54 6.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -59.92 -43.57 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -66.32 -39.95 89.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.81 -56.86 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -61.27 -38.79 88.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.69 -59.34 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.24 -48.4 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -55.43 -48.15 74.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.88 -43.43 83.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.08 -45.69 92.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -51.92 60.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -51.99 -63.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.15 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -52.82 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -51.64 -29.68 18.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -59.71 -75.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.62 74.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.86 -64.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -69.56 -10.21 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -75.53 -47.83 25.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -96.67 -40.76 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -61.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.16 43.26 81.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.57 -168.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -58.25 155.23 27.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.85 3.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.1 m -142.05 155.19 45.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -56.56 -21.57 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.6 -47.53 47.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.87 -29.1 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.7 t -73.51 -45.78 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.45 -11.13 59.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.36 62.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.48 160.67 53.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.71 -176.24 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.38 -62.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -48.25 -56.3 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 90.8 m -55.89 -44.83 78.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -55.47 -41.59 73.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.66 -49.84 69.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.63 -47.06 87.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -60.92 -56.36 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -25.79 67.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -67.83 -55.93 11.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -69.67 -26.63 64.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -43.05 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.3 m -72.57 -44.4 62.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -45.89 87.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -50.14 64.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -53.39 -53.75 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -67.75 -67.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.1 m -132.27 96.9 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.62 58.9 2.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.05 92.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.834 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.31 -52.49 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.43 -47.68 81.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -28.07 65.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -52.52 48.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -33.44 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.32 -54.47 12.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.9 -42.91 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -63.96 -47.84 78.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -66.26 -42.36 88.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -46.3 90.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -50.87 66.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -52.03 -64.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.21 -41.94 69.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -52.3 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -51.51 -30.79 21.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -74.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.7 -30.83 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -56.41 -65.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -11.27 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -47.09 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -96.61 -40.18 9.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.29 -57.82 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.57 92.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.52 -169.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 148.59 75.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 167.94 23.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.82 159.3 29.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -57.96 -20.85 41.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.08 -48.28 53.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -32.66 31.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.52 -50.51 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.68 -6.56 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.07 -35.72 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.63 160.33 53.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -179.87 3.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -58.88 -47.41 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.89 -59.37 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.7 m -54.91 -45.09 74.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -55.71 -46.06 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.14 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.04 -50.4 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -59.21 -55.93 28.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -25.34 66.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.61 -63.65 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -65.71 -26.22 67.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -73.68 -45.45 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 m -67.91 -39.11 83.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.65 -40.79 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 -27.93 61.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -78.31 -41.31 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.9 t -78.05 -32.55 50.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.6 m -90.03 -20.64 23.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.87 41.68 87.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.935 -179.857 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -54.96 39.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -62.33 -42.53 99.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.95 -51.52 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -64.71 -33.3 75.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -61.38 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -34.44 76.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -66.14 -57.96 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.36 -46.64 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -56.2 -51.78 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -65.36 -42.81 92.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -59.71 -45.54 91.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -50.63 66.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -51.74 -63.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.05 -41.99 72.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -51.57 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -51.04 -33.01 23.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.57 78.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -49.99 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -64.7 -13.91 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -41.68 56.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -96.14 -43.75 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -77.35 -50.63 12.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.72 29.02 74.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 177.05 -174.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 143.63 6.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 167.78 23.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.39 159.35 25.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -20.76 36.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -47.91 51.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -30.77 31.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.1 t -71.4 -47.68 57.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -9.75 58.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.33 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.61 160.63 53.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -176.7 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.44 -61.72 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.7 -55.67 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.8 m -54.47 -49.99 68.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -53.59 -36.22 61.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.63 -52.6 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.55 -43.59 98.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -60.48 -58.26 9.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -62.68 -25.19 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -65.75 -26.7 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -46.81 36.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.1 m -68.2 -33.42 74.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -44.04 51.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -24.31 61.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -84.61 -38.34 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.0 t -77.78 -30.92 51.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 t -72.45 -24.09 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.85 26.72 36.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.901 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.72 -52.08 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 110.863 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.9 ttt -69.58 -44.07 71.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -53.99 -51.22 64.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -34.35 77.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -60.74 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -62.28 -35.11 77.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.68 -58.26 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.81 -48.64 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -50.72 68.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -42.69 92.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -59.66 -46.25 89.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.5 -49.49 71.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -52.08 -64.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.29 -41.49 72.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -51.52 -76.08 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -51.74 -33.51 35.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.49 -34.33 77.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -49.51 -65.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -67.8 -11.67 58.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -75.29 -49.44 19.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -95.99 -48.39 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -64.73 -50.41 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.85 29.48 67.68 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 178.1 169.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.348 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.98 142.45 2.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 166.15 28.53 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.77 161.26 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -58.11 -21.02 44.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.89 -47.75 57.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.9 -32.59 30.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.9 t -69.45 -47.87 70.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.52 -9.89 58.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.02 -28.93 61.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.54 161.67 50.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -174.7 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -64.0 -60.54 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.98 -49.38 40.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.1 m -61.81 -44.81 96.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -38.04 73.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -51.0 49.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.4 -44.82 95.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.47 -56.15 24.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -63.34 -25.29 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.45 -56.14 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -70.61 -26.45 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -72.3 -42.0 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -75.17 -38.59 60.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.97 -39.46 75.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -44.92 54.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -37.24 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -79.27 -62.89 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -64.85 -59.29 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.47 46.26 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -42.68 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.5 ttm -55.63 -38.22 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -55.72 -52.13 64.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -60.71 -37.65 82.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -54.68 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -44.52 93.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -61.78 -60.89 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t -55.23 -49.83 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.56 -32.69 71.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.63 -57.39 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -56.16 -37.88 70.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -55.53 18.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -51.62 -59.32 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.24 -43.06 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -52.0 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.26 -34.25 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -53.47 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -34.68 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -49.66 -65.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -67.29 -11.73 58.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -49.81 18.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -95.91 -48.28 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.49 -41.38 96.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.97 31.19 17.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.37 176.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.14 145.51 2.55 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 171.3 14.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.33 160.03 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -21.24 40.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.69 -47.34 60.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.38 -32.77 29.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.08 -48.11 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.64 -10.58 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.6 -29.23 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.59 161.26 51.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.63 3.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.331 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.97 -61.78 2.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -48.38 -55.91 9.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.4 m -57.25 -41.97 80.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -42.44 78.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.7 65.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.49 -51.21 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -56.94 -51.07 70.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.05 -25.82 68.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.6 -60.18 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -67.73 -26.42 66.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -43.23 64.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.1 m -71.97 -37.99 69.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mp -72.23 -37.02 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -71.58 -46.61 58.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -42.59 83.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.5 m -70.58 -62.6 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.8 m -65.03 -61.64 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.04 19.05 11.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.946 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.28 42.42 21.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.914 0.388 . . . . 0.0 110.902 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -64.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -51.82 -41.95 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -38.18 86.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.95 -55.71 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -64.12 -36.21 83.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -66.37 -54.44 24.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.02 -47.99 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -56.53 -51.54 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.08 -42.27 89.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.88 -46.6 88.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -51.49 63.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -51.63 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.35 -43.29 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -51.18 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.49 -32.46 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -74.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.85 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -51.12 -66.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -12.83 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -41.86 51.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -96.48 -44.37 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -72.94 -42.04 63.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.66 31.11 63.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 176.82 -169.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.19 150.03 8.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.83 26.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.747 2.298 . . . . 0.0 112.33 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 m -123.75 157.18 34.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.55 -20.75 34.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.37 -44.72 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.71 -33.0 23.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.2 t -70.0 -49.89 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.66 -7.66 54.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.39 -32.45 62.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.78 161.05 51.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -175.65 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -59.88 -59.9 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.38 -55.35 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.1 m -56.84 -49.61 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -52.87 -37.84 60.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.31 -51.87 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.64 -49.29 78.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -57.24 -55.9 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -62.87 -23.81 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.42 -64.2 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -67.08 -26.27 66.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -71.81 -40.63 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 85.0 m -74.65 -39.93 61.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.13 -37.78 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -74.78 -46.03 39.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -65.78 -36.38 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.0 m -79.65 -63.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -64.98 -59.67 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.68 46.88 3.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.27 100.56 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -51.27 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.96 -45.84 89.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -66.51 -46.21 77.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -53.82 52.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -59.53 -43.34 93.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -63.48 -60.47 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.45 -55.16 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -51.92 -46.38 64.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.47 -39.11 91.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -61.51 -49.64 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -48.73 77.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -53.9 -66.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.72 -40.31 62.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -53.65 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.25 -28.69 59.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -67.39 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.13 -32.85 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -60.65 -62.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -67.21 -11.27 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -45.47 44.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.71 -40.04 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt-85 -75.59 -74.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.11 43.5 6.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.41 -169.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.323 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.7 152.26 37.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 179.0 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.0 158.87 43.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -25.53 37.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -41.44 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -35.52 47.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.18 -38.71 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.71 -13.01 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.92 29.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.88 162.24 26.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.566 0.698 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 179.63 3.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.371 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.28 -60.55 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.75 -54.64 14.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.7 m -59.91 -43.44 94.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.191 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -53.77 -44.89 70.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 -47.64 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.3 -50.71 68.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -63.19 -61.49 2.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -52.43 -25.8 10.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.11 -60.77 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -65.42 -27.53 68.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -47.36 25.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.7 m -63.76 -40.18 96.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.91 -44.56 65.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -49.53 66.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -62.43 -59.38 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m -51.51 -54.33 28.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.6 m -64.92 -21.99 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.99 20.49 79.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.95 45.98 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -53.74 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.89 -41.21 61.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -64.69 -55.89 17.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.55 -37.31 67.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -65.13 -54.68 26.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -60.68 -43.99 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.04 -61.88 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.56 -33.19 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -68.98 -48.87 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -41.29 85.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.97 -52.86 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -51.48 -61.0 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.2 78.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -52.06 -75.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.76 -34.3 38.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.75 78.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -50.04 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -65.29 -12.23 49.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -53.98 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -96.38 -42.98 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -47.52 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.14 33.57 30.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.52 171.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.4 140.64 5.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.833 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.92 29.37 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.82 160.76 17.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.45 -21.66 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.28 -46.26 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -35.32 26.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -67.19 -49.47 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.66 -8.28 56.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.23 -30.55 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.46 161.1 52.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.54 0.685 . . . . 0.0 111.147 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 179.24 3.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.6 -58.75 6.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.94 -54.25 21.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -57.41 -48.25 79.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.68 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.33 -51.49 56.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.12 -50.5 73.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -57.13 -52.9 63.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -62.8 -25.36 68.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.93 -55.58 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -69.35 -26.46 64.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -42.33 60.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.2 m -73.61 -36.33 65.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.15 -40.8 64.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -41.96 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -68.28 -46.84 69.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.2 m -66.24 -53.88 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.3 m -65.11 -60.84 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.59 18.53 14.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.482 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 55.56 30.98 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.862 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.4 -38.17 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.67 -42.47 92.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -67.45 -43.35 81.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.08 -53.0 61.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -40.25 96.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.68 -55.66 18.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.71 -53.32 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -52.61 -48.58 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -42.6 89.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -59.98 -46.2 90.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -50.11 68.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -52.03 -64.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.08 -41.26 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -52.73 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -51.05 -31.29 18.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -56.95 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.47 -28.07 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -58.39 -70.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -63.34 -17.07 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mmm-85 -76.69 -38.2 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -96.23 -50.46 4.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -67.63 -51.76 46.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.28 64.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.58 -169.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -56.61 154.66 16.6 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 177.65 5.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.73 156.07 47.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -57.22 -20.96 30.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.8 -46.42 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -30.48 28.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.8 t -71.96 -46.55 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.65 -10.87 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.27 -32.2 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.57 161.35 51.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.553 0.692 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -172.87 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.259 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.03 -62.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -47.98 -49.66 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.9 m -61.11 -46.81 89.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -37.57 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.11 -50.68 53.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.33 -44.81 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -60.7 -56.02 26.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -63.78 -24.8 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.6 -60.96 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -69.0 -26.28 64.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.73 -41.75 64.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.2 m -73.38 -41.2 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -68.16 -42.14 80.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -70.32 -44.13 68.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -63.86 -40.48 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.3 m -68.42 -54.37 17.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.8 t -64.91 -24.83 67.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.9 42.81 92.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.952 -179.837 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.73 103.21 15.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.839 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mtt -85.73 -67.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -51.78 -42.03 62.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -64.06 -45.9 86.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.17 -42.46 98.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.01 -44.11 90.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -66.67 -48.8 68.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.61 -50.29 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -57.12 -51.6 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -63.9 -39.73 94.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -65.24 -37.46 87.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -61.92 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -48.71 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.8 95.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -52.66 -66.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.52 -33.23 69.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.39 -70.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.64 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -56.94 -69.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -16.95 54.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.61 -47.85 21.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -96.42 -59.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.6 mmt-85 -63.05 -54.56 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.96 38.87 76.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.98 160.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.46 126.32 7.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.98 36.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.715 2.276 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.81 163.41 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.61 -21.91 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.06 -44.96 71.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -37.54 21.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.55 -50.76 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -7.04 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.68 -25.36 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.61 162.05 49.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -179.76 3.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.23 . . . . 0.0 112.343 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.32 -62.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.95 -55.83 9.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.4 m -57.13 -44.48 83.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -54.86 -40.82 70.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.16 -51.12 57.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.64 -47.57 85.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -60.32 -61.82 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -55.64 -25.55 39.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.99 -57.82 4.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -66.63 -26.36 67.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -43.26 51.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 98.4 m -70.56 -35.67 73.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.27 -42.4 55.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -70.06 -35.92 74.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -76.29 -44.49 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -74.47 -63.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -65.69 -51.29 60.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.81 40.92 2.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 57.8 36.36 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.6 ttp -86.87 -45.69 10.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -52.12 -51.87 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -57.65 -59.67 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -34.64 41.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -52.62 51.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.6 -43.26 97.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.31 -60.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -52.16 -43.91 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -42.03 83.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -61.12 -47.55 85.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.78 -54.31 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -51.67 -64.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -44.77 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -51.0 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -50.19 -31.4 13.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -73.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.18 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -57.26 -70.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.54 -14.96 56.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.7 ttm-85 -72.92 -48.04 40.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -96.99 -55.79 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -67.27 -68.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 35.24 53.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 176.6 165.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -44.64 121.07 4.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -169.58 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.234 . . . . 0.0 112.34 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -126.21 -177.46 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -66.76 -18.26 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.77 -48.84 52.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -76.45 -31.08 57.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -69.94 -49.37 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -76.13 -5.85 48.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.92 -30.52 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.51 161.03 52.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -177.06 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.98 -61.36 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -57.71 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.1 m -55.79 -40.34 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -45.9 84.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.52 -51.76 67.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.31 -45.78 93.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.16 -60.27 3.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -25.2 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -71.08 -54.94 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.0 -27.34 62.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -74.27 -45.6 46.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.8 m -71.34 -38.51 71.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.8 -44.55 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -68.38 -41.58 80.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.22 -40.67 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.4 m -67.97 -54.23 20.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -65.47 -25.1 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.63 -34.46 4.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.865 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 55.72 42.5 29.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 110.885 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -54.16 32.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.93 -41.66 62.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -64.3 -54.93 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -39.75 74.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -54.05 44.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -61.06 -49.73 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.2 t -59.12 -58.28 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -51.79 -42.1 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -67.82 -41.19 83.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -61.5 -47.77 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -54.65 30.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -51.6 -63.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.12 -44.6 64.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -51.09 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -49.8 -31.19 11.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -73.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.55 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -60.73 -71.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -62.43 -15.33 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -57.86 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -97.01 -47.38 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.87 -68.6 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.81 35.26 84.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 176.58 163.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.28 123.05 5.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.21 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.3 p -126.3 -176.48 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -67.99 -18.88 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.94 -46.58 62.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -77.49 -35.57 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.84 -50.05 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -4.85 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.74 -31.83 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.45 160.95 52.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 175.8 7.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.15 -48.11 81.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.02 -62.88 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.4 m -54.93 -38.27 67.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -57.04 -51.1 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.51 -50.64 73.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.89 -51.46 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -56.69 18.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -55.54 -25.71 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.48 -56.41 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -70.21 -27.65 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -49.86 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 91.9 m -66.77 -35.32 79.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.8 mt -73.67 -43.5 59.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -27.0 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -82.56 -37.15 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -79.68 -29.64 40.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -97.47 -20.98 17.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.09 43.05 49.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.925 -179.863 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.02 34.81 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 mmt -88.89 -38.53 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.95 -50.51 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -61.42 -35.87 78.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.32 -54.32 38.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -36.66 84.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.52 -56.0 11.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.0 t -62.2 -48.3 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -52.77 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.24 -39.71 95.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -65.0 -37.73 88.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -62.59 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -48.9 55.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.67 95.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 30.4 t-105 -52.28 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -55.05 -35.72 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -52.98 -72.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.16 82.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -51.73 -71.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -59.27 -17.67 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -46.15 74.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -96.0 -44.09 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -70.29 -57.29 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.03 33.17 78.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.03 -175.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 146.79 6.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.41 5.59 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.5 151.05 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -50.54 -28.83 9.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.94 -47.35 65.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -70.54 -26.29 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.01 -32.14 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -14.18 59.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.83 -36.49 67.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.79 160.29 53.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.74 -174.87 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.76 -63.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -53.93 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 37' ' ' PRO . 97.4 m -58.06 -42.43 85.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -56.7 -41.63 77.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.02 70.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.18 -50.51 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -57.49 -54.33 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -25.11 67.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.09 -61.38 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -68.39 -26.37 65.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -41.63 64.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.9 m -73.35 -39.19 65.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.7 -40.15 73.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -72.5 -40.32 66.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -66.78 -48.15 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.3 p -67.43 -54.17 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.5 m -64.91 -22.55 67.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.0 -34.26 4.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.905 -179.887 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.57 100.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mmm -84.95 -61.49 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -52.23 -46.85 65.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.8 mmt-85 -62.26 -51.67 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.66 -39.21 76.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 ttp85 -63.94 -51.28 65.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -63.01 -47.99 80.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.5 t -61.72 -59.43 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -52.16 -42.22 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.75 -41.12 83.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -48.03 82.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.8 -54.55 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -51.67 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.33 -45.21 62.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.6 t-105 -50.9 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.62 -30.33 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -72.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -68.23 -24.8 64.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.12 -68.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -66.27 -12.22 55.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 2.9 mmt180 -75.63 -45.29 38.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -96.4 -42.84 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -86.56 -76.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.47 34.39 12.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.79 167.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -44.65 117.5 3.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -169.78 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 p -123.14 -176.36 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -67.05 -17.62 64.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -71.28 -45.29 63.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -79.32 -28.6 42.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.54 -49.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -5.38 47.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.65 -30.83 63.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.64 160.96 52.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.058 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -175.94 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.741 2.294 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -62.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.5 -56.78 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.6 m -56.25 -40.62 74.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.72 -44.59 86.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.99 -52.64 63.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -44.47 96.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.4 -61.1 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -25.11 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.29 -57.26 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.22 -27.37 63.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -48.16 27.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 91.0 m -69.24 -36.64 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mt -71.49 -44.2 65.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -39.8 80.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -52.02 47.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.3 p -63.9 -52.98 57.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.6 m -64.94 -24.87 67.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.91 19.76 79.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 103.09 15.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mtt -88.65 -68.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.85 -41.59 61.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -38.82 88.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -57.21 11.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -61.51 -37.57 84.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -65.59 -58.74 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.27 -50.83 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -54.02 -51.56 63.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.7 -42.22 98.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -59.76 -48.64 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -47.53 83.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -52.98 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.55 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -51.29 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -56.31 -30.87 63.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.4 78.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -50.5 -65.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -66.9 -10.75 52.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -75.28 -47.36 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -97.73 -43.9 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -74.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.94 29.15 21.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.511 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 176.9 151.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.07 133.38 4.23 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.64 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.11 172.28 8.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.22 -19.73 55.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.61 -49.51 25.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -26.66 52.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.0 t -77.84 -39.42 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -75.9 -12.31 60.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.49 -23.63 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.87 162.75 46.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -178.62 2.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -60.26 -65.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.47 -56.82 5.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.0 m -56.17 -46.74 79.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -51.66 -42.23 61.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.94 -53.14 43.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.7 -52.53 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -55.38 -55.57 30.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -26.1 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.73 -60.11 2.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -68.88 -26.15 64.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -74.71 -45.2 45.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 84.0 m -68.69 -39.65 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.66 -44.26 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -63.46 -48.59 77.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -63.23 -53.9 45.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.3 m -51.15 -59.8 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.5 t -64.84 -22.13 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.08 39.07 59.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.2 ptm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.755 0.312 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.4 -45.78 78.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.574 ' O ' HG23 ' A' ' 9' ' ' VAL . 15.2 mmt180 -67.12 -50.11 62.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.49 -42.06 91.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.64 -48.29 75.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.04 -49.21 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 5' ' ' ARG . 92.7 t -62.66 -53.27 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.88 -48.78 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -65.97 -42.79 89.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -45.86 91.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.563 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.75 -50.2 67.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.97 -64.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.9 -41.74 71.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -52.08 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -51.91 -31.99 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -55.12 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.61 74.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.87 -65.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -68.84 -12.26 61.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -48.99 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -96.62 -50.53 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -64.82 -43.1 94.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.07 32.38 27.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 176.77 173.32 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -47.62 140.91 7.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 175.51 8.02 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.665 2.243 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.582 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -124.42 163.07 22.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.87 -21.49 43.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -70.73 -47.53 59.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.57 -32.9 31.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 29' ' ' SER . 86.4 t -69.12 -47.57 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.66 -10.33 59.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.2 -29.58 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.57 161.23 51.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.042 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.1 Cg_endo -69.77 177.86 5.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.42 -59.13 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -50.11 -58.39 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.9 m -55.78 -45.18 78.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -52.85 -46.27 67.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.41 84.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.87 -50.51 73.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -61.42 -54.43 43.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -60.35 -25.53 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -70.82 -59.68 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CG ' HD21 ' A' ' 13' ' ' LEU . 10.8 t80 -68.39 -26.13 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -42.86 57.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 91.0 m -72.43 -36.27 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -41.76 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -71.13 -40.81 71.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -68.93 -49.22 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 ptt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.779 0.323 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.09 -51.19 70.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 9' ' ' VAL . 68.9 mmt-85 -58.37 -48.4 80.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -59.72 -52.43 65.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -58.67 -46.74 86.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -61.82 -61.09 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 5' ' ' ARG . 93.8 t -53.42 -57.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -51.95 -42.2 62.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -66.83 -40.74 88.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -60.8 -46.62 89.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.594 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.94 -50.83 64.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -51.63 -63.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.58 -42.04 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -51.56 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.3 -33.69 29.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -53.99 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.2 77.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.76 -67.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -13.2 43.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -75.24 -42.32 55.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -96.48 -44.05 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.3 mmt-85 -73.98 -44.94 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.74 32.94 70.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 177.0 -175.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.7 152.41 2.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.5 7.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.6 t -135.47 157.24 47.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -57.51 -20.88 34.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -71.55 -47.72 53.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.72 -31.64 31.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 29' ' ' SER . 86.9 t -70.73 -48.76 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.65 -8.41 56.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.24 -34.24 63.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.62 160.87 52.52 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.1 Cg_endo -69.69 -177.8 2.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.94 -59.67 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -49.47 -54.7 16.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.742 ' HA ' HD12 ' A' ' 43' ' ' LEU . 60.4 m -57.48 -47.11 82.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -54.88 -37.36 66.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.16 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.046 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 40' ' ' THR . 0.9 OUTLIER -61.76 -45.43 93.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -60.71 -56.52 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.95 -25.12 68.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -67.55 -62.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CB ' HD21 ' A' ' 13' ' ' LEU . 21.5 t80 -67.49 -26.21 66.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -73.04 -40.49 65.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.4 m -74.47 -38.33 62.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.02 -38.43 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -73.96 -43.5 57.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -67.36 -42.4 83.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.6 ptt? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.76 0.314 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.41 -44.47 89.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 9' ' ' VAL . 22.3 tpp180 -63.91 -57.41 9.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.0 tp -56.09 -37.39 69.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -64.39 -52.55 57.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -62.73 -46.35 88.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 5' ' ' ARG . 85.5 t -62.72 -59.92 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -52.09 -42.6 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -67.32 -41.49 85.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -60.71 -45.69 93.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.566 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -65.45 -51.48 59.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -51.5 -62.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.59 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -52.17 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -52.38 -33.25 42.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -74.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.21 79.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -50.53 -66.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -64.28 -13.8 51.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.34 -41.51 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -96.24 -43.92 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -76.53 -58.77 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.0 33.04 60.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 176.74 -167.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.96 154.5 1.86 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.594 0.711 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' VAL . 49.2 m -153.56 155.21 35.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -21.16 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -47.76 50.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -30.43 34.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 29' ' ' SER . 88.5 t -71.9 -47.47 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -75.55 -9.5 58.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.32 -37.43 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.608 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.46 161.24 52.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.608 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.6 Cg_endo -69.74 -172.26 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -48.52 21.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.672 ' HA ' HD12 ' A' ' 43' ' ' LEU . 97.5 m -62.79 -44.87 95.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -37.8 70.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.67 -50.86 47.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.2 mt -61.74 -45.21 94.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -61.39 -57.84 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -61.3 -25.17 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -67.99 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CB ' HD21 ' A' ' 13' ' ' LEU . 15.2 t80 -66.38 -26.5 67.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -46.79 43.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 53' ' ' THR . 74.6 m -67.21 -38.11 84.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' HA ' HG22 ' A' ' 53' ' ' THR . 3.0 mm? -72.42 -40.94 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -74.14 -25.69 59.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -84.7 -33.7 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 50' ' ' LEU . 13.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -51.91 -42.12 62.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.8 tpt180 -66.93 -37.72 84.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -57.07 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.84 -36.62 83.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.04 -56.78 9.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 5' ' ' ARG . 87.8 t -62.59 -48.2 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -56.09 -49.81 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.39 -43.49 85.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.78 -45.26 92.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.615 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.79 -50.92 64.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -51.93 -63.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.26 70.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -51.77 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -51.99 -32.44 33.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -55.61 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.65 -31.13 72.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.17 -69.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -63.97 -16.95 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -76.01 -41.69 50.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -96.34 -56.27 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -64.1 -44.7 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.78 34.71 65.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 176.96 -175.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.41 151.91 3.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 176.48 6.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -137.58 156.19 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -56.78 -21.5 28.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -71.49 -47.82 53.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -31.52 36.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 29' ' ' SER . 90.8 t -70.75 -46.39 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -75.57 -10.68 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.67 63.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.608 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.5 161.2 52.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.631 0.729 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.608 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.7 Cg_endo -69.78 -175.09 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -62.0 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -48.67 -54.14 15.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.832 ' HA ' HD12 ' A' ' 43' ' ' LEU . 99.1 m -56.59 -47.36 79.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -41.2 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -50.7 65.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -60.63 -46.25 91.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -61.9 -58.28 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -59.48 -25.15 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -69.06 -60.88 2.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.615 ' CB ' HD21 ' A' ' 13' ' ' LEU . 15.2 t80 -68.41 -27.13 65.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -45.62 50.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.2 m -70.06 -36.79 75.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.6 -44.71 70.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -30.41 65.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -48.27 52.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.6 ttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.717 0.294 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.19 -45.4 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.2 tmm_? -62.11 -43.21 99.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.43 -44.02 92.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -63.47 -47.19 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.05 -52.22 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 5' ' ' ARG . 96.6 t -61.45 -57.57 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -51.81 -42.44 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.45 -40.31 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -60.84 -47.2 87.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.61 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.61 -49.89 69.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -51.82 -64.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.35 73.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -52.14 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -31.66 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.39 -73.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.97 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -53.59 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -64.31 -12.52 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -54.72 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -96.73 -41.07 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -69.1 -55.95 9.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.83 41.43 91.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 176.56 -171.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 158.81 1.64 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -175.96 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.42 153.11 38.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -54.7 -23.64 18.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -71.59 -42.11 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -37.54 28.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.72 -47.16 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.16 -6.68 50.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -91.62 24.84 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -152.62 161.09 30.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.73 174.14 9.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.03 -57.6 12.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -50.38 -56.13 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -57.51 -41.73 81.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -47.24 85.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.35 97.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.06 -53.46 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -61.54 -53.13 60.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -25.66 64.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.78 -61.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.61 ' CB ' HD21 ' A' ' 13' ' ' LEU . 8.9 t80 -65.27 -26.39 68.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -75.25 -47.64 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 53' ' ' THR . 78.2 m -66.23 -36.44 83.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' HA ' HG22 ' A' ' 53' ' ' THR . 1.7 mt -74.2 -42.83 59.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -72.1 -25.26 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -84.5 -38.3 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 50' ' ' LEU . 13.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.5 ptp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.745 0.307 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -59.92 -43.57 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.7 tpp180 -66.32 -39.95 89.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.81 -56.86 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -61.27 -38.79 88.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.69 -59.34 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 5' ' ' ARG . 95.1 t -59.24 -48.4 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -55.43 -48.15 74.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.88 -43.43 83.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.08 -45.69 92.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.609 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.37 -51.92 60.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -51.99 -63.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.15 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -52.82 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -51.64 -29.68 18.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -59.71 -75.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.62 74.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.86 -64.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -69.56 -10.21 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -75.53 -47.83 25.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -96.67 -40.76 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -61.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.16 43.26 81.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.57 -168.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -58.25 155.23 27.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.85 3.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.1 m -142.05 155.19 45.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -56.56 -21.57 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.6 -47.53 47.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.87 -29.1 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 29' ' ' SER . 92.7 t -73.51 -45.78 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.45 -11.13 59.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.36 62.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.48 160.67 53.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.71 -176.24 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.38 -62.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -48.25 -56.3 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.809 ' HA ' HD12 ' A' ' 43' ' ' LEU . 90.8 m -55.89 -44.83 78.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.524 ' HE ' HG12 ' A' ' 33' ' ' VAL . 6.2 mtp180 -55.47 -41.59 73.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.66 -49.84 69.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -61.63 -47.06 87.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -60.92 -56.36 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -25.79 67.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -67.83 -55.93 11.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.609 ' CB ' HD21 ' A' ' 13' ' ' LEU . 29.9 t80 -69.67 -26.63 64.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -43.05 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.3 m -72.57 -44.4 62.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -45.89 87.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -50.14 64.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -53.39 -53.75 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.73 0.3 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.43 -47.68 81.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -69.28 -28.07 65.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -52.52 48.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -33.44 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.32 -54.47 12.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 5' ' ' ARG . 71.9 t -62.9 -42.91 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -63.96 -47.84 78.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -66.26 -42.36 88.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -46.3 90.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.596 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.37 -50.87 66.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -52.03 -64.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.21 -41.94 69.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -52.3 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -51.51 -30.79 21.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -74.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.7 -30.83 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -56.41 -65.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -11.27 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -47.09 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -96.61 -40.18 9.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.29 -57.82 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.57 92.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.52 -169.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 148.59 75.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 167.94 23.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.562 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -123.82 159.3 29.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -57.96 -20.85 41.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 6.3 m-20 -71.08 -48.28 53.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -32.66 31.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 29' ' ' SER . 92.2 t -69.52 -50.51 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.68 -6.56 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.07 -35.72 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.726 ' HB1' ' HB ' ' A' ' 40' ' ' THR . . . -85.63 160.33 53.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.71 -179.87 3.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -58.88 -47.41 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.89 -59.37 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.818 ' HA ' HD12 ' A' ' 43' ' ' LEU . 14.7 m -54.91 -45.09 74.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -55.71 -46.06 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.14 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.1 mt -61.04 -50.4 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -59.21 -55.93 28.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -25.34 66.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.61 -63.65 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.596 ' CB ' HD21 ' A' ' 13' ' ' LEU . 16.3 t80 -65.71 -26.22 67.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -73.68 -45.45 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.536 ' O ' HG22 ' A' ' 53' ' ' THR . 71.1 m -67.91 -39.11 83.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.65 -40.79 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 -27.93 61.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -78.31 -41.31 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 49' ' ' THR . 14.9 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 tmm? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.733 0.301 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.95 -51.52 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.6 mmt180 -64.71 -33.3 75.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -61.38 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -34.44 76.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -66.14 -57.96 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.515 HG13 HD13 ' A' ' 43' ' ' LEU . 94.7 t -63.36 -46.64 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -56.2 -51.78 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -65.36 -42.81 92.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -59.71 -45.54 91.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.611 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.71 -50.63 66.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -51.74 -63.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.05 -41.99 72.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -51.57 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -51.04 -33.01 23.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.57 78.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -49.99 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -64.7 -13.91 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -41.68 56.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -96.14 -43.75 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -77.35 -50.63 12.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.72 29.02 74.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 177.05 -174.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 143.63 6.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 167.78 23.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -120.39 159.35 25.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -20.76 36.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -71.68 -47.91 51.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -30.77 31.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 29' ' ' SER . 97.1 t -71.4 -47.68 57.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -9.75 58.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.23 -32.33 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.61 160.63 53.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.76 -176.7 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.44 -61.72 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.7 -55.67 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.8 m -54.47 -49.99 68.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -53.59 -36.22 61.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.63 -52.6 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.515 HD13 HG13 ' A' ' 9' ' ' VAL . 16.3 mt -62.55 -43.59 98.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -60.48 -58.26 9.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -62.68 -25.19 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -66.91 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.611 ' CB ' HD21 ' A' ' 13' ' ' LEU . 9.6 t80 -65.75 -26.7 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -46.81 36.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 53' ' ' THR . 73.1 m -68.2 -33.42 74.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -74.88 -44.04 51.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -24.31 61.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -84.61 -38.34 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' THR . 12.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.755 0.312 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -53.99 -51.22 64.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -63.79 -34.35 77.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -60.74 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -62.28 -35.11 77.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.68 -58.26 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.734 HG13 HD22 ' A' ' 43' ' ' LEU . 97.9 t -62.81 -48.64 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -50.72 68.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -42.69 92.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -59.66 -46.25 89.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.5 -49.49 71.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -52.08 -64.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.29 -41.49 72.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -51.52 -76.08 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -51.74 -33.51 35.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.49 -34.33 77.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -49.51 -65.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -67.8 -11.67 58.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -75.29 -49.44 19.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -95.99 -48.39 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -64.73 -50.41 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.85 29.48 67.68 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 178.1 169.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.348 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.98 142.45 2.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 166.15 28.53 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -113.77 161.26 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -58.11 -21.02 44.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 3.8 m-20 -70.89 -47.75 57.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.9 -32.59 30.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 29' ' ' SER . 89.9 t -69.45 -47.87 70.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.52 -9.89 58.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.02 -28.93 61.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.54 161.67 50.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.071 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.83 -174.7 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -64.0 -60.54 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.98 -49.38 40.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.616 ' HA ' HD12 ' A' ' 43' ' ' LEU . 97.1 m -61.81 -44.81 96.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -38.04 73.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -51.0 49.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.734 HD22 HG13 ' A' ' 9' ' ' VAL . 1.1 mt -62.4 -44.82 95.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.47 -56.15 24.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -63.34 -25.29 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.45 -56.14 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.612 ' CB ' HD21 ' A' ' 13' ' ' LEU . 67.8 t80 -70.61 -26.45 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -72.3 -42.0 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -75.17 -38.59 60.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.97 -39.46 75.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -44.92 54.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -37.24 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.5 ttm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.758 0.314 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -55.72 -52.13 64.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.5 mmt-85 -60.71 -37.65 82.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -54.68 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -44.52 93.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -61.78 -60.89 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 5' ' ' ARG . 90.2 t -55.23 -49.83 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.56 -32.69 71.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.63 -57.39 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.714 ' HD2' HD13 ' A' ' 43' ' ' LEU . 14.8 ptp180 -56.16 -37.88 70.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.642 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -65.02 -55.53 18.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -51.62 -59.32 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.24 -43.06 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -52.0 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.26 -34.25 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -53.47 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -34.68 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -49.66 -65.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -67.29 -11.73 58.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -49.81 18.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -95.91 -48.28 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.49 -41.38 96.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.97 31.19 17.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.37 176.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.14 145.51 2.55 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 171.3 14.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -125.33 160.03 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -21.24 40.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 2.1 t70 -70.69 -47.34 60.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.38 -32.77 29.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 29' ' ' SER . 87.0 t -69.08 -48.11 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.64 -10.58 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.6 -29.23 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.622 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.59 161.26 51.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 111.085 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.622 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.78 179.63 3.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.97 -61.78 2.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -48.38 -55.91 9.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.817 ' HA ' HD12 ' A' ' 43' ' ' LEU . 95.4 m -57.25 -41.97 80.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -42.44 78.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.7 65.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.2 mt -60.49 -51.21 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -56.94 -51.07 70.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.05 -25.82 68.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.6 -60.18 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.642 ' CG ' HD21 ' A' ' 13' ' ' LEU . 87.3 t80 -67.73 -26.42 66.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -43.23 64.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.1 m -71.97 -37.99 69.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mp -72.23 -37.02 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -71.58 -46.61 58.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -42.59 83.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.914 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.736 0.303 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -51.82 -41.95 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -66.47 -38.18 86.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.95 -55.71 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -64.12 -36.21 83.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -66.37 -54.44 24.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.779 HG13 HD22 ' A' ' 43' ' ' LEU . 87.5 t -65.02 -47.99 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -56.53 -51.54 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.08 -42.27 89.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.88 -46.6 88.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.687 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -64.28 -51.49 63.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -51.63 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.35 -43.29 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -51.18 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.49 -32.46 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -74.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.85 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -51.12 -66.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -12.83 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -41.86 51.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -96.48 -44.37 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -72.94 -42.04 63.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.66 31.11 63.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 176.82 -169.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.19 150.03 8.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.83 26.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.747 2.298 . . . . 0.0 112.33 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 33' ' ' VAL . 10.1 m -123.75 157.18 34.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.55 -20.75 34.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.58 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 10.7 m-20 -71.37 -44.72 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.71 -33.0 23.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 29' ' ' SER . 79.2 t -70.0 -49.89 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.66 -7.66 54.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.39 -32.45 62.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.6 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.78 161.05 51.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.6 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.2 Cg_endo -69.81 -175.65 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -59.88 -59.9 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.38 -55.35 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.83 ' HA ' HD12 ' A' ' 43' ' ' LEU . 36.1 m -56.84 -49.61 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -52.87 -37.84 60.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.31 -51.87 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 40' ' ' THR . 0.9 OUTLIER -59.64 -49.29 78.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -57.24 -55.9 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -62.87 -23.81 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.42 -64.2 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.687 ' CG ' HD21 ' A' ' 13' ' ' LEU . 1.3 p90 -67.08 -26.27 66.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -71.81 -40.63 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 85.0 m -74.65 -39.93 61.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.13 -37.78 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -74.78 -46.03 39.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -65.78 -36.38 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.687 0.28 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.96 -45.84 89.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.529 ' O ' HG23 ' A' ' 9' ' ' VAL . 15.2 mmt180 -66.51 -46.21 77.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -53.82 52.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -59.53 -43.34 93.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -63.48 -60.47 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 43' ' ' LEU . 88.7 t -55.45 -55.16 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -51.92 -46.38 64.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.47 -39.11 91.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -61.51 -49.64 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -48.73 77.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -53.9 -66.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.72 -40.31 62.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -53.65 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.25 -28.69 59.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -67.39 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.13 -32.85 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -60.65 -62.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -67.21 -11.27 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -45.47 44.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.71 -40.04 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt-85 -75.59 -74.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.11 43.5 6.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.41 -169.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.323 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.7 152.26 37.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 179.0 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.0 158.87 43.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -25.53 37.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -41.44 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -35.52 47.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.18 -38.71 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.71 -13.01 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.92 29.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -152.88 162.24 26.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.566 0.698 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.6 Cg_endo -69.8 179.63 3.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.28 -60.55 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.75 -54.64 14.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.7 m -59.91 -43.44 94.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.191 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -53.77 -44.89 70.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 -47.64 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.57 ' CD1' HG13 ' A' ' 9' ' ' VAL . 13.1 mt -55.3 -50.71 68.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -63.19 -61.49 2.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -52.43 -25.8 10.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.11 -60.77 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -65.42 -27.53 68.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -47.36 25.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.7 m -63.76 -40.18 96.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.91 -44.56 65.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -49.53 66.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -62.43 -59.38 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.888 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.77 0.319 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.89 -41.21 61.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.8 mmt180 -64.69 -55.89 17.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.55 -37.31 67.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -65.13 -54.68 26.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -60.68 -43.99 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 5' ' ' ARG . 98.3 t -65.04 -61.88 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.56 -33.19 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -68.98 -48.87 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -41.29 85.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.667 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -65.97 -52.86 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -51.48 -61.0 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.2 78.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -52.06 -75.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.76 -34.3 38.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.75 78.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -50.04 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -65.29 -12.23 49.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -53.98 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -96.38 -42.98 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -47.52 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.14 33.57 30.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.52 171.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.4 140.64 5.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.833 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.92 29.37 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -111.82 160.76 17.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.45 -21.66 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.2 m-20 -70.28 -46.26 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -35.32 26.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 29' ' ' SER . 91.8 t -67.19 -49.47 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.66 -8.28 56.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.23 -30.55 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.607 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.46 161.1 52.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.54 0.685 . . . . 0.0 111.147 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.79 179.24 3.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.6 -58.75 6.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.94 -54.25 21.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.833 ' HA ' HD12 ' A' ' 43' ' ' LEU . 86.7 m -57.41 -48.25 79.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.68 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.33 -51.49 56.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.1 mt -59.12 -50.5 73.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -57.13 -52.9 63.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -62.8 -25.36 68.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.93 -55.58 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.667 ' CB ' HD21 ' A' ' 13' ' ' LEU . 71.0 t80 -69.35 -26.46 64.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -42.33 60.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.2 m -73.61 -36.33 65.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.15 -40.8 64.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -41.96 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -68.28 -46.84 69.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.891 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.723 0.297 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.67 -42.47 92.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 9' ' ' VAL . 23.1 tpp180 -67.45 -43.35 81.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.08 -53.0 61.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -40.25 96.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.68 -55.66 18.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 5' ' ' ARG . 93.9 t -61.71 -53.32 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -52.61 -48.58 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -42.6 89.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -59.98 -46.2 90.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.589 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.48 -50.11 68.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -52.03 -64.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.08 -41.26 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -52.73 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -51.05 -31.29 18.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -56.95 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -63.47 -28.07 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -58.39 -70.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -63.34 -17.07 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 6.1 mmm-85 -76.69 -38.2 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.23 -50.46 4.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -67.63 -51.76 46.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.28 64.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.58 -169.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -56.61 154.66 16.6 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 177.65 5.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.594 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -138.73 156.07 47.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -57.22 -20.96 30.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.8 -46.42 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -30.48 28.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 29' ' ' SER . 93.8 t -71.96 -46.55 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.65 -10.87 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.27 -32.2 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.621 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.57 161.35 51.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.553 0.692 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.621 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.75 -172.87 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.259 . . . . 0.0 112.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.03 -62.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -47.98 -49.66 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.655 ' HA ' HD12 ' A' ' 43' ' ' LEU . 96.9 m -61.11 -46.81 89.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -37.57 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.11 -50.68 53.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.3 mt -62.33 -44.81 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -60.7 -56.02 26.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -63.78 -24.8 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.6 -60.96 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CB ' HD21 ' A' ' 13' ' ' LEU . 14.9 t80 -69.0 -26.28 64.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.73 -41.75 64.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.2 m -73.38 -41.2 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -68.16 -42.14 80.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -70.32 -44.13 68.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -63.86 -40.48 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.728 0.299 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -51.78 -42.03 62.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.9 mmt-85 -64.06 -45.9 86.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.17 -42.46 98.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.01 -44.11 90.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -66.67 -48.8 68.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.723 HG13 HD22 ' A' ' 43' ' ' LEU . 91.9 t -63.61 -50.29 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -57.12 -51.6 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -63.9 -39.73 94.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -65.24 -37.46 87.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -69.63 -61.92 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -48.71 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.8 95.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -52.66 -66.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.52 -33.23 69.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.39 -70.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -64.22 -32.64 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -56.94 -69.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -16.95 54.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -76.61 -47.85 21.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -96.42 -59.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.6 mmt-85 -63.05 -54.56 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.96 38.87 76.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.98 160.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.46 126.32 7.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.98 36.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.715 2.276 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -99.81 163.41 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.61 -21.91 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.62 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 2.6 m-20 -69.06 -44.96 71.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -37.54 21.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' SER . 84.5 t -65.55 -50.76 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -7.04 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -73.68 -25.36 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.61 162.05 49.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.649 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.73 -179.76 3.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.23 . . . . 0.0 112.343 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.32 -62.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.95 -55.83 9.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.814 ' HA ' HD12 ' A' ' 43' ' ' LEU . 96.4 m -57.13 -44.48 83.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -54.86 -40.82 70.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.16 -51.12 57.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.1 mt -59.64 -47.57 85.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -60.32 -61.82 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -55.64 -25.55 39.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.99 -57.82 4.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.7 ' HB2' HD21 ' A' ' 13' ' ' LEU . 83.9 t80 -66.63 -26.36 67.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -43.26 51.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 98.4 m -70.56 -35.67 73.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.27 -42.4 55.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -70.06 -35.92 74.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -76.29 -44.49 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.902 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -52.12 -51.87 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -57.65 -59.67 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -34.64 41.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -52.62 51.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.6 -43.26 97.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.59 HG13 HD22 ' A' ' 43' ' ' LEU . 99.5 t -65.31 -60.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -52.16 -43.91 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -42.03 83.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -61.12 -47.55 85.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -63.78 -54.31 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -51.67 -64.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -44.77 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -51.0 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -50.19 -31.4 13.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -73.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . . . -67.88 -30.18 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -57.26 -70.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.54 -14.96 56.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 50.7 ttm-85 -72.92 -48.04 40.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -96.99 -55.79 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -67.27 -68.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 35.24 53.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 176.6 165.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -44.64 121.07 4.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -169.58 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.234 . . . . 0.0 112.34 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.583 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.0 m -126.21 -177.46 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -66.76 -18.26 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.77 -48.84 52.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -76.45 -31.08 57.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 29' ' ' SER . 72.7 t -69.94 -49.37 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -76.13 -5.85 48.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.92 -30.52 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.51 161.03 52.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.078 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.3 Cg_endo -69.7 -177.06 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.98 -61.36 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -57.71 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.656 ' HA ' HD12 ' A' ' 43' ' ' LEU . 88.1 m -55.79 -40.34 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -45.9 84.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.52 -51.76 67.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -61.31 -45.78 93.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.521 ' OH ' HG22 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -63.16 -60.27 3.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -25.2 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -71.08 -54.94 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.73 ' CD1' HD21 ' A' ' 13' ' ' LEU . 40.8 t80 -72.0 -27.34 62.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -74.27 -45.6 46.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.8 m -71.34 -38.51 71.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -69.8 -44.55 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -68.38 -41.58 80.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.22 -40.67 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.4 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 -179.874 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.763 0.316 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.93 -41.66 62.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 9' ' ' VAL . 31.8 mmt180 -64.3 -54.93 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -39.75 74.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -54.05 44.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -61.06 -49.73 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.917 HG22 HD11 ' A' ' 43' ' ' LEU . 99.2 t -59.12 -58.28 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -51.79 -42.1 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -67.82 -41.19 83.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.415 ' HD2' HG23 ' A' ' 40' ' ' THR . 25.7 mmt-85 -61.5 -47.77 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.757 HD21 ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.09 -54.65 30.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -51.6 -63.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.12 -44.6 64.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -51.09 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -49.8 -31.19 11.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -73.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -67.79 -27.55 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -60.73 -71.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -62.43 -15.33 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -66.29 -57.86 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -97.01 -47.38 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.87 -68.6 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.81 35.26 84.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 176.58 163.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.28 123.05 5.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.21 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 33' ' ' VAL . 95.3 p -126.3 -176.48 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -67.99 -18.88 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 3.7 m-20 -70.94 -46.58 62.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -77.49 -35.57 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 29' ' ' SER . 90.6 t -66.84 -50.05 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -4.85 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -73.74 -31.83 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.45 160.95 52.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.611 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.1 Cg_endo -69.73 175.8 7.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.15 -48.11 81.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.02 -62.88 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.474 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 11.4 m -54.93 -38.27 67.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -57.04 -51.1 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.51 -50.64 73.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.917 HD11 HG22 ' A' ' 9' ' ' VAL . 25.3 mt -58.89 -51.46 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE2' HG22 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -59.78 -56.69 18.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -55.54 -25.71 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.7 mt-10 -71.48 -56.41 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.757 ' CD1' HD21 ' A' ' 13' ' ' LEU . 41.4 t80 -70.21 -27.65 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -49.86 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 53' ' ' THR . 91.9 m -66.77 -35.32 79.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 46' ' ' GLU . 29.8 mt -73.67 -43.5 59.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -27.0 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -82.56 -37.15 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 50' ' ' LEU . 8.7 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.73 0.3 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.95 -50.51 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 9' ' ' VAL . 13.9 mmt-85 -61.42 -35.87 78.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 6' ' ' LEU . 5.2 mt -63.32 -54.32 38.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -36.66 84.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.52 -56.0 11.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 5' ' ' ARG . 93.0 t -62.2 -48.3 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -52.77 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.24 -39.71 95.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -65.0 -37.73 88.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.613 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -69.67 -62.59 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -48.9 55.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.67 95.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 30.4 t-105 -52.28 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -55.05 -35.72 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -52.98 -72.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -63.79 -36.16 82.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -51.73 -71.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -59.27 -17.67 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -67.35 -46.15 74.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -96.0 -44.09 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -70.29 -57.29 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.03 33.17 78.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.03 -175.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 146.79 6.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.41 5.59 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.5 151.05 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -50.54 -28.83 9.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.94 -47.35 65.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -70.54 -26.29 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.01 -32.14 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -14.18 59.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.83 -36.49 67.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.79 160.29 53.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.74 -174.87 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.76 -63.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -53.93 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.833 ' HA ' HD12 ' A' ' 43' ' ' LEU . 97.4 m -58.06 -42.43 85.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -56.7 -41.63 77.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.02 70.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.3 mt -62.18 -50.51 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -57.49 -54.33 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -25.11 67.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.09 -61.38 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.613 ' CB ' HD21 ' A' ' 13' ' ' LEU . 5.5 t80 -68.39 -26.37 65.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -41.63 64.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' THR . 94.9 m -73.35 -39.19 65.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.7 -40.15 73.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -72.5 -40.32 66.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -66.78 -48.15 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 49' ' ' THR . 73.3 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -52.23 -46.85 65.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 9' ' ' VAL . 52.8 mmt-85 -62.26 -51.67 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.66 -39.21 76.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 ttp85 -63.94 -51.28 65.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -63.01 -47.99 80.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG13 HD22 ' A' ' 43' ' ' LEU . 89.5 t -61.72 -59.43 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -52.16 -42.22 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.75 -41.12 83.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -48.03 82.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.737 HD21 ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -63.8 -54.55 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -51.67 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.33 -45.21 62.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.6 t-105 -50.9 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.62 -30.33 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -72.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -68.23 -24.8 64.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.12 -68.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -66.27 -12.22 55.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 2.9 mmt180 -75.63 -45.29 38.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -96.4 -42.84 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -86.56 -76.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.47 34.39 12.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.79 167.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -44.65 117.5 3.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -169.78 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.628 ' O ' HG23 ' A' ' 33' ' ' VAL . 19.8 p -123.14 -176.36 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -67.05 -17.62 64.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 22.0 m-20 -71.28 -45.29 63.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -79.32 -28.6 42.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' SER . 97.8 t -72.54 -49.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -5.38 47.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -73.65 -30.83 63.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.609 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.64 160.96 52.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.609 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.7 Cg_endo -69.72 -175.94 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.741 2.294 . . . . 0.0 112.351 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -62.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.5 -56.78 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.589 ' HA ' HD12 ' A' ' 43' ' ' LEU . 89.6 m -56.25 -40.62 74.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.72 -44.59 86.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.99 -52.64 63.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.603 HD22 HG13 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -61.73 -44.47 96.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.472 ' CE2' HG22 ' A' ' 33' ' ' VAL . 1.5 t80 -63.4 -61.1 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -25.11 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.616 ' O ' HD12 ' A' ' 50' ' ' LEU . 38.8 tt0 -70.29 -57.26 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.737 ' CD1' HD21 ' A' ' 13' ' ' LEU . 40.8 t80 -71.22 -27.37 63.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -48.16 27.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 53' ' ' THR . 91.0 m -69.24 -36.64 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 46' ' ' GLU . 4.4 mt -71.49 -44.2 65.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -39.8 80.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -52.02 47.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 49' ' ' THR . 74.3 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.795 0.331 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.85 -41.59 61.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -66.3 -38.82 88.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -57.21 11.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -61.51 -37.57 84.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -65.59 -58.74 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.736 HG13 HD22 ' A' ' 43' ' ' LEU . 94.0 t -60.27 -50.83 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -54.02 -51.56 63.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.7 -42.22 98.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -59.76 -48.64 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.628 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -62.47 -47.53 83.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -52.98 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.55 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -51.29 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -56.31 -30.87 63.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.4 78.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -50.5 -65.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -66.9 -10.75 52.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -75.28 -47.36 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -97.73 -43.9 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -74.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.94 29.15 21.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.511 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 176.9 151.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.07 133.38 4.23 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.64 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -122.11 172.28 8.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.22 -19.73 55.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.61 -49.51 25.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -26.66 52.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 29' ' ' SER . 88.0 t -77.84 -39.42 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -75.9 -12.31 60.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.49 -23.63 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.673 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.87 162.75 46.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.673 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.1 Cg_endo -69.77 -178.62 2.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -60.26 -65.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.47 -56.82 5.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.826 ' HA ' HD12 ' A' ' 43' ' ' LEU . 94.0 m -56.17 -46.74 79.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -51.66 -42.23 61.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.94 -53.14 43.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -57.7 -52.53 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -55.38 -55.57 30.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -26.1 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.73 -60.11 2.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.628 ' CB ' HD21 ' A' ' 13' ' ' LEU . 81.3 t80 -68.88 -26.15 64.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -74.71 -45.2 45.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 84.0 m -68.69 -39.65 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.66 -44.26 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -63.46 -48.59 77.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -63.23 -53.9 45.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.3 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -88.72 86.73 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.2 ptm -80.46 -39.98 27.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.4 -45.78 78.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.574 ' O ' HG23 ' A' ' 9' ' ' VAL . 15.2 mmt180 -67.12 -50.11 62.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.49 -42.06 91.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.64 -48.29 75.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.04 -49.21 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 5' ' ' ARG . 92.7 t -62.66 -53.27 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.88 -48.78 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -65.97 -42.79 89.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -45.86 91.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.75 -50.2 67.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.97 -64.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.9 -41.74 71.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -52.08 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -51.91 -31.99 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -55.12 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.61 74.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.87 -65.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -68.84 -12.26 61.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -48.99 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -96.62 -50.53 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -64.82 -43.1 94.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.07 32.38 27.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 176.77 173.32 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -47.62 140.91 7.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 175.51 8.02 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.665 2.243 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.582 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -124.42 163.07 22.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.87 -21.49 43.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -70.73 -47.53 59.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.57 -32.9 31.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 29' ' ' SER . 86.4 t -69.12 -47.57 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.66 -10.33 59.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.2 -29.58 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.57 161.23 51.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.042 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.1 Cg_endo -69.77 177.86 5.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.42 -59.13 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -50.11 -58.39 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.9 m -55.78 -45.18 78.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -52.85 -46.27 67.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.41 84.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.87 -50.51 73.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -61.42 -54.43 43.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -60.35 -25.53 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -70.82 -59.68 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CG ' HD21 ' A' ' 13' ' ' LEU . 10.8 t80 -68.39 -26.13 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -42.86 57.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 91.0 m -72.43 -36.27 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -41.76 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -71.13 -40.81 71.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -68.93 -49.22 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -64.17 -53.49 48.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.4 m -65.04 -59.13 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.05 19.98 15.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -52.09 -40.87 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -52.52 -34.72 51.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.09 -51.19 70.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 9' ' ' VAL . 68.9 mmt-85 -58.37 -48.4 80.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -59.72 -52.43 65.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -58.67 -46.74 86.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -61.82 -61.09 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 5' ' ' ARG . 93.8 t -53.42 -57.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -51.95 -42.2 62.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -66.83 -40.74 88.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -60.8 -46.62 89.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.594 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.94 -50.83 64.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -51.63 -63.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.58 -42.04 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -51.56 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.3 -33.69 29.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -53.99 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.2 77.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.76 -67.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -13.2 43.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -75.24 -42.32 55.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -96.48 -44.05 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.3 mmt-85 -73.98 -44.94 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.74 32.94 70.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 177.0 -175.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.7 152.41 2.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.5 7.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.6 t -135.47 157.24 47.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -57.51 -20.88 34.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -71.55 -47.72 53.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.72 -31.64 31.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 29' ' ' SER . 86.9 t -70.73 -48.76 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.65 -8.41 56.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.24 -34.24 63.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.62 160.87 52.52 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.1 Cg_endo -69.69 -177.8 2.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.94 -59.67 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -49.47 -54.7 16.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.742 ' HA ' HD12 ' A' ' 43' ' ' LEU . 60.4 m -57.48 -47.11 82.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -54.88 -37.36 66.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.16 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.046 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 40' ' ' THR . 0.9 OUTLIER -61.76 -45.43 93.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -60.71 -56.52 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.95 -25.12 68.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -67.55 -62.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CB ' HD21 ' A' ' 13' ' ' LEU . 21.5 t80 -67.49 -26.21 66.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -73.04 -40.49 65.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.4 m -74.47 -38.33 62.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.02 -38.43 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -73.96 -43.5 57.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -67.36 -42.4 83.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.9 m -70.77 -55.3 8.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.8 m -64.95 -61.55 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.04 18.88 11.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.835 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.36 41.97 12.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -109.77 -38.17 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.41 -44.47 89.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 9' ' ' VAL . 22.3 tpp180 -63.91 -57.41 9.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.0 tp -56.09 -37.39 69.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -64.39 -52.55 57.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -62.73 -46.35 88.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 5' ' ' ARG . 85.5 t -62.72 -59.92 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -52.09 -42.6 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -67.32 -41.49 85.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -60.71 -45.69 93.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.566 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -65.45 -51.48 59.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -51.5 -62.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.59 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -52.17 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -52.38 -33.25 42.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -74.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.21 79.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -50.53 -66.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -64.28 -13.8 51.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.34 -41.51 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -96.24 -43.92 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -76.53 -58.77 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.0 33.04 60.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 176.74 -167.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.96 154.5 1.86 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.594 0.711 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' VAL . 49.2 m -153.56 155.21 35.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -21.16 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -47.76 50.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -30.43 34.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 29' ' ' SER . 88.5 t -71.9 -47.47 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -75.55 -9.5 58.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.32 -37.43 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.608 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.46 161.24 52.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.608 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.6 Cg_endo -69.74 -172.26 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -48.52 21.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.672 ' HA ' HD12 ' A' ' 43' ' ' LEU . 97.5 m -62.79 -44.87 95.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -37.8 70.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.67 -50.86 47.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.2 mt -61.74 -45.21 94.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -61.39 -57.84 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -61.3 -25.17 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -67.99 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CB ' HD21 ' A' ' 13' ' ' LEU . 15.2 t80 -66.38 -26.5 67.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -46.79 43.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 53' ' ' THR . 74.6 m -67.21 -38.11 84.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' HA ' HG22 ' A' ' 53' ' ' THR . 3.0 mm? -72.42 -40.94 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -74.14 -25.69 59.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -84.7 -33.7 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 50' ' ' LEU . 13.0 t -82.67 -30.88 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.0 t -70.26 -24.66 63.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.42 41.41 77.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.852 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -95.03 -34.27 12.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -58.28 9.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -51.91 -42.12 62.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.8 tpt180 -66.93 -37.72 84.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -57.07 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.84 -36.62 83.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.04 -56.78 9.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 5' ' ' ARG . 87.8 t -62.59 -48.2 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -56.09 -49.81 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.39 -43.49 85.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.78 -45.26 92.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.615 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.79 -50.92 64.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -51.93 -63.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.26 70.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -51.77 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -51.99 -32.44 33.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -55.61 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.65 -31.13 72.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.17 -69.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -63.97 -16.95 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -76.01 -41.69 50.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -96.34 -56.27 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -64.1 -44.7 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.78 34.71 65.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 176.96 -175.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.41 151.91 3.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 176.48 6.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -137.58 156.19 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -56.78 -21.5 28.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -71.49 -47.82 53.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -31.52 36.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 29' ' ' SER . 90.8 t -70.75 -46.39 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -75.57 -10.68 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.67 63.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.608 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.5 161.2 52.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.631 0.729 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.608 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.7 Cg_endo -69.78 -175.09 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -62.0 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -48.67 -54.14 15.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.832 ' HA ' HD12 ' A' ' 43' ' ' LEU . 99.1 m -56.59 -47.36 79.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -41.2 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -50.7 65.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -60.63 -46.25 91.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -61.9 -58.28 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -59.48 -25.15 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -69.06 -60.88 2.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.615 ' CB ' HD21 ' A' ' 13' ' ' LEU . 15.2 t80 -68.41 -27.13 65.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -45.62 50.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.2 m -70.06 -36.79 75.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.6 -44.71 70.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -30.41 65.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -48.27 52.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p -75.22 -57.48 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 m -64.65 -51.35 63.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.7 39.07 3.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -61.5 -176.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.6 ttt 72.12 -68.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.19 -45.4 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.2 tmm_? -62.11 -43.21 99.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.43 -44.02 92.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -63.47 -47.19 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.05 -52.22 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 5' ' ' ARG . 96.6 t -61.45 -57.57 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -51.81 -42.44 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.45 -40.31 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -60.84 -47.2 87.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.61 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.61 -49.89 69.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -51.82 -64.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.35 73.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -52.14 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -31.66 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.39 -73.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.97 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -53.59 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -64.31 -12.52 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -54.72 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -96.73 -41.07 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -69.1 -55.95 9.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.83 41.43 91.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 176.56 -171.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 158.81 1.64 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -175.96 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.42 153.11 38.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -54.7 -23.64 18.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -71.59 -42.11 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -37.54 28.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.72 -47.16 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.16 -6.68 50.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -91.62 24.84 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -152.62 161.09 30.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.73 174.14 9.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.03 -57.6 12.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -50.38 -56.13 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -57.51 -41.73 81.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -47.24 85.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.35 97.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.06 -53.46 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -61.54 -53.13 60.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -25.66 64.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.78 -61.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.61 ' CB ' HD21 ' A' ' 13' ' ' LEU . 8.9 t80 -65.27 -26.39 68.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -75.25 -47.64 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 53' ' ' THR . 78.2 m -66.23 -36.44 83.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' HA ' HG22 ' A' ' 53' ' ' THR . 1.7 mt -74.2 -42.83 59.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -72.1 -25.26 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -84.5 -38.3 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 50' ' ' LEU . 13.1 t -77.02 -31.03 56.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.458 HG23 ' H ' ' A' ' 56' ' ' GLN . 11.2 t -76.18 -23.09 54.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.41 -39.43 3.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.458 ' H ' HG23 ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.75 38.58 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.832 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.5 ptp -103.88 -38.54 6.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -59.92 -43.57 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.7 tpp180 -66.32 -39.95 89.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.81 -56.86 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -61.27 -38.79 88.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.69 -59.34 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 5' ' ' ARG . 95.1 t -59.24 -48.4 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -55.43 -48.15 74.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.88 -43.43 83.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.08 -45.69 92.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.609 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.37 -51.92 60.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -51.99 -63.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.15 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -52.82 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -51.64 -29.68 18.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -59.71 -75.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.62 74.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.86 -64.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -69.56 -10.21 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -75.53 -47.83 25.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -96.67 -40.76 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -61.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.16 43.26 81.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.57 -168.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -58.25 155.23 27.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.85 3.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.1 m -142.05 155.19 45.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -56.56 -21.57 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.6 -47.53 47.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.87 -29.1 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 29' ' ' SER . 92.7 t -73.51 -45.78 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.45 -11.13 59.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.36 62.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.48 160.67 53.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.71 -176.24 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.38 -62.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -48.25 -56.3 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.809 ' HA ' HD12 ' A' ' 43' ' ' LEU . 90.8 m -55.89 -44.83 78.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.524 ' HE ' HG12 ' A' ' 33' ' ' VAL . 6.2 mtp180 -55.47 -41.59 73.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.66 -49.84 69.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -61.63 -47.06 87.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -60.92 -56.36 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -25.79 67.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -67.83 -55.93 11.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.609 ' CB ' HD21 ' A' ' 13' ' ' LEU . 29.9 t80 -69.67 -26.63 64.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -43.05 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.3 m -72.57 -44.4 62.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -45.89 87.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -50.14 64.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -53.39 -53.75 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -67.75 -67.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.1 m -132.27 96.9 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.62 58.9 2.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.05 92.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.834 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.31 -52.49 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.43 -47.68 81.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -69.28 -28.07 65.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -52.52 48.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -33.44 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.32 -54.47 12.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 5' ' ' ARG . 71.9 t -62.9 -42.91 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -63.96 -47.84 78.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -66.26 -42.36 88.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -46.3 90.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.596 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.37 -50.87 66.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -52.03 -64.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.21 -41.94 69.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -52.3 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -51.51 -30.79 21.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -74.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.7 -30.83 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -56.41 -65.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -11.27 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -47.09 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -96.61 -40.18 9.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.29 -57.82 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.57 92.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.52 -169.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 148.59 75.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 167.94 23.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.562 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -123.82 159.3 29.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -57.96 -20.85 41.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 6.3 m-20 -71.08 -48.28 53.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -32.66 31.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 29' ' ' SER . 92.2 t -69.52 -50.51 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.68 -6.56 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.07 -35.72 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.726 ' HB1' ' HB ' ' A' ' 40' ' ' THR . . . -85.63 160.33 53.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.71 -179.87 3.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -58.88 -47.41 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.89 -59.37 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.818 ' HA ' HD12 ' A' ' 43' ' ' LEU . 14.7 m -54.91 -45.09 74.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -55.71 -46.06 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.14 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.1 mt -61.04 -50.4 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -59.21 -55.93 28.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -25.34 66.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.61 -63.65 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.596 ' CB ' HD21 ' A' ' 13' ' ' LEU . 16.3 t80 -65.71 -26.22 67.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -73.68 -45.45 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.536 ' O ' HG22 ' A' ' 53' ' ' THR . 71.1 m -67.91 -39.11 83.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.65 -40.79 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 -27.93 61.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -78.31 -41.31 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 49' ' ' THR . 14.9 t -78.05 -32.55 50.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.6 m -90.03 -20.64 23.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.87 41.68 87.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.935 -179.857 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -54.96 39.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -62.33 -42.53 99.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.95 -51.52 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.6 mmt180 -64.71 -33.3 75.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -61.38 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -34.44 76.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -66.14 -57.96 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.515 HG13 HD13 ' A' ' 43' ' ' LEU . 94.7 t -63.36 -46.64 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -56.2 -51.78 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -65.36 -42.81 92.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -59.71 -45.54 91.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.611 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.71 -50.63 66.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -51.74 -63.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.05 -41.99 72.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -51.57 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -51.04 -33.01 23.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.57 78.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -49.99 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -64.7 -13.91 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -41.68 56.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -96.14 -43.75 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -77.35 -50.63 12.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.72 29.02 74.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 177.05 -174.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 143.63 6.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 167.78 23.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -120.39 159.35 25.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -20.76 36.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -71.68 -47.91 51.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -30.77 31.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 29' ' ' SER . 97.1 t -71.4 -47.68 57.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -9.75 58.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.23 -32.33 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.61 160.63 53.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.76 -176.7 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.44 -61.72 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.7 -55.67 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.8 m -54.47 -49.99 68.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -53.59 -36.22 61.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.63 -52.6 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.515 HD13 HG13 ' A' ' 9' ' ' VAL . 16.3 mt -62.55 -43.59 98.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -60.48 -58.26 9.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -62.68 -25.19 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -66.91 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.611 ' CB ' HD21 ' A' ' 13' ' ' LEU . 9.6 t80 -65.75 -26.7 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -46.81 36.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 53' ' ' THR . 73.1 m -68.2 -33.42 74.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -74.88 -44.04 51.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -24.31 61.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -84.61 -38.34 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' THR . 12.0 t -77.78 -30.92 51.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 t -72.45 -24.09 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.85 26.72 36.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.901 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.72 -52.08 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 110.863 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.9 ttt -69.58 -44.07 71.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -53.99 -51.22 64.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -63.79 -34.35 77.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -60.74 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -62.28 -35.11 77.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.68 -58.26 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.734 HG13 HD22 ' A' ' 43' ' ' LEU . 97.9 t -62.81 -48.64 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -50.72 68.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -42.69 92.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -59.66 -46.25 89.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.5 -49.49 71.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -52.08 -64.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.29 -41.49 72.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -51.52 -76.08 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -51.74 -33.51 35.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.49 -34.33 77.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -49.51 -65.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -67.8 -11.67 58.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -75.29 -49.44 19.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -95.99 -48.39 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -64.73 -50.41 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.85 29.48 67.68 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 178.1 169.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.348 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.98 142.45 2.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 166.15 28.53 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -113.77 161.26 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -58.11 -21.02 44.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 3.8 m-20 -70.89 -47.75 57.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.9 -32.59 30.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 29' ' ' SER . 89.9 t -69.45 -47.87 70.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.52 -9.89 58.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.02 -28.93 61.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.54 161.67 50.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.071 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.83 -174.7 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -64.0 -60.54 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.98 -49.38 40.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.616 ' HA ' HD12 ' A' ' 43' ' ' LEU . 97.1 m -61.81 -44.81 96.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -38.04 73.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -51.0 49.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.734 HD22 HG13 ' A' ' 9' ' ' VAL . 1.1 mt -62.4 -44.82 95.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.47 -56.15 24.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -63.34 -25.29 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.45 -56.14 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.612 ' CB ' HD21 ' A' ' 13' ' ' LEU . 67.8 t80 -70.61 -26.45 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -72.3 -42.0 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -75.17 -38.59 60.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.97 -39.46 75.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -44.92 54.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -37.24 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -79.27 -62.89 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -64.85 -59.29 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.47 46.26 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -42.68 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.5 ttm -55.63 -38.22 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -55.72 -52.13 64.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.5 mmt-85 -60.71 -37.65 82.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -54.68 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -44.52 93.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -61.78 -60.89 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 5' ' ' ARG . 90.2 t -55.23 -49.83 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.56 -32.69 71.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.63 -57.39 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.714 ' HD2' HD13 ' A' ' 43' ' ' LEU . 14.8 ptp180 -56.16 -37.88 70.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.642 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -65.02 -55.53 18.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -51.62 -59.32 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.24 -43.06 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -52.0 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.26 -34.25 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -53.47 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -34.68 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -49.66 -65.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -67.29 -11.73 58.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -49.81 18.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -95.91 -48.28 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.49 -41.38 96.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.97 31.19 17.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.37 176.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.14 145.51 2.55 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 171.3 14.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -125.33 160.03 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -21.24 40.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 2.1 t70 -70.69 -47.34 60.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.38 -32.77 29.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 29' ' ' SER . 87.0 t -69.08 -48.11 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.64 -10.58 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.6 -29.23 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.622 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.59 161.26 51.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 111.085 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.622 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.78 179.63 3.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.97 -61.78 2.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -48.38 -55.91 9.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.817 ' HA ' HD12 ' A' ' 43' ' ' LEU . 95.4 m -57.25 -41.97 80.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -42.44 78.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.7 65.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.2 mt -60.49 -51.21 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -56.94 -51.07 70.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.05 -25.82 68.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.6 -60.18 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.642 ' CG ' HD21 ' A' ' 13' ' ' LEU . 87.3 t80 -67.73 -26.42 66.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -43.23 64.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.1 m -71.97 -37.99 69.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mp -72.23 -37.02 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -71.58 -46.61 58.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -42.59 83.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.5 m -70.58 -62.6 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.8 m -65.03 -61.64 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.04 19.05 11.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.946 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.28 42.42 21.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.914 0.388 . . . . 0.0 110.902 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -64.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -51.82 -41.95 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -66.47 -38.18 86.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.95 -55.71 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -64.12 -36.21 83.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -66.37 -54.44 24.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.779 HG13 HD22 ' A' ' 43' ' ' LEU . 87.5 t -65.02 -47.99 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -56.53 -51.54 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.08 -42.27 89.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.88 -46.6 88.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.687 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -64.28 -51.49 63.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -51.63 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.35 -43.29 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -51.18 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.49 -32.46 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -74.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.85 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -51.12 -66.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -12.83 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -41.86 51.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -96.48 -44.37 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -72.94 -42.04 63.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.66 31.11 63.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 176.82 -169.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.19 150.03 8.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.83 26.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.747 2.298 . . . . 0.0 112.33 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 33' ' ' VAL . 10.1 m -123.75 157.18 34.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.55 -20.75 34.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.58 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 10.7 m-20 -71.37 -44.72 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.71 -33.0 23.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 29' ' ' SER . 79.2 t -70.0 -49.89 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.66 -7.66 54.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.39 -32.45 62.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.6 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.78 161.05 51.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.6 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.2 Cg_endo -69.81 -175.65 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -59.88 -59.9 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.38 -55.35 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.83 ' HA ' HD12 ' A' ' 43' ' ' LEU . 36.1 m -56.84 -49.61 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -52.87 -37.84 60.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.31 -51.87 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 40' ' ' THR . 0.9 OUTLIER -59.64 -49.29 78.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -57.24 -55.9 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -62.87 -23.81 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.42 -64.2 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.687 ' CG ' HD21 ' A' ' 13' ' ' LEU . 1.3 p90 -67.08 -26.27 66.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -71.81 -40.63 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 85.0 m -74.65 -39.93 61.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.13 -37.78 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -74.78 -46.03 39.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -65.78 -36.38 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.0 m -79.65 -63.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -64.98 -59.67 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.68 46.88 3.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.27 100.56 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -51.27 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.96 -45.84 89.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.529 ' O ' HG23 ' A' ' 9' ' ' VAL . 15.2 mmt180 -66.51 -46.21 77.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -53.82 52.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -59.53 -43.34 93.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -63.48 -60.47 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 43' ' ' LEU . 88.7 t -55.45 -55.16 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -51.92 -46.38 64.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.47 -39.11 91.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -61.51 -49.64 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -48.73 77.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -53.9 -66.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.72 -40.31 62.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -53.65 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.25 -28.69 59.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -67.39 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.13 -32.85 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -60.65 -62.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -67.21 -11.27 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -45.47 44.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.71 -40.04 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt-85 -75.59 -74.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.11 43.5 6.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.41 -169.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.323 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.7 152.26 37.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 179.0 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.0 158.87 43.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -25.53 37.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -41.44 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -35.52 47.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.18 -38.71 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.71 -13.01 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.92 29.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -152.88 162.24 26.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.566 0.698 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.6 Cg_endo -69.8 179.63 3.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.28 -60.55 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.75 -54.64 14.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.7 m -59.91 -43.44 94.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.191 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -53.77 -44.89 70.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 -47.64 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.57 ' CD1' HG13 ' A' ' 9' ' ' VAL . 13.1 mt -55.3 -50.71 68.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -63.19 -61.49 2.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -52.43 -25.8 10.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.11 -60.77 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -65.42 -27.53 68.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -47.36 25.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.7 m -63.76 -40.18 96.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.91 -44.56 65.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -49.53 66.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -62.43 -59.38 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m -51.51 -54.33 28.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.6 m -64.92 -21.99 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.99 20.49 79.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.95 45.98 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -53.74 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.89 -41.21 61.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.8 mmt180 -64.69 -55.89 17.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.55 -37.31 67.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -65.13 -54.68 26.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -60.68 -43.99 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 5' ' ' ARG . 98.3 t -65.04 -61.88 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.56 -33.19 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -68.98 -48.87 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -41.29 85.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.667 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -65.97 -52.86 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -51.48 -61.0 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.2 78.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -52.06 -75.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.76 -34.3 38.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.75 78.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -50.04 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -65.29 -12.23 49.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -53.98 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -96.38 -42.98 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -47.52 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.14 33.57 30.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.52 171.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.4 140.64 5.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.833 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.92 29.37 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -111.82 160.76 17.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.45 -21.66 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.2 m-20 -70.28 -46.26 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -35.32 26.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 29' ' ' SER . 91.8 t -67.19 -49.47 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.66 -8.28 56.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.23 -30.55 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.607 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.46 161.1 52.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.54 0.685 . . . . 0.0 111.147 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.79 179.24 3.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.6 -58.75 6.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.94 -54.25 21.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.833 ' HA ' HD12 ' A' ' 43' ' ' LEU . 86.7 m -57.41 -48.25 79.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.68 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.33 -51.49 56.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.1 mt -59.12 -50.5 73.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -57.13 -52.9 63.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -62.8 -25.36 68.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.93 -55.58 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.667 ' CB ' HD21 ' A' ' 13' ' ' LEU . 71.0 t80 -69.35 -26.46 64.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -42.33 60.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.2 m -73.61 -36.33 65.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.15 -40.8 64.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -41.96 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -68.28 -46.84 69.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.2 m -66.24 -53.88 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.3 m -65.11 -60.84 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.59 18.53 14.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.482 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 55.56 30.98 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.862 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.4 -38.17 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.67 -42.47 92.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 9' ' ' VAL . 23.1 tpp180 -67.45 -43.35 81.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.08 -53.0 61.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -40.25 96.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.68 -55.66 18.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 5' ' ' ARG . 93.9 t -61.71 -53.32 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -52.61 -48.58 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -42.6 89.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -59.98 -46.2 90.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.589 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.48 -50.11 68.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -52.03 -64.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.08 -41.26 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -52.73 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -51.05 -31.29 18.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -56.95 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -63.47 -28.07 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -58.39 -70.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -63.34 -17.07 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 6.1 mmm-85 -76.69 -38.2 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.23 -50.46 4.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -67.63 -51.76 46.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.28 64.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.58 -169.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -56.61 154.66 16.6 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 177.65 5.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.594 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -138.73 156.07 47.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -57.22 -20.96 30.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.8 -46.42 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -30.48 28.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 29' ' ' SER . 93.8 t -71.96 -46.55 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.65 -10.87 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.27 -32.2 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.621 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.57 161.35 51.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.553 0.692 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.621 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.75 -172.87 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.259 . . . . 0.0 112.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.03 -62.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -47.98 -49.66 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.655 ' HA ' HD12 ' A' ' 43' ' ' LEU . 96.9 m -61.11 -46.81 89.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -37.57 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.11 -50.68 53.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.3 mt -62.33 -44.81 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -60.7 -56.02 26.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -63.78 -24.8 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.6 -60.96 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CB ' HD21 ' A' ' 13' ' ' LEU . 14.9 t80 -69.0 -26.28 64.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.73 -41.75 64.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.2 m -73.38 -41.2 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.54 ' O ' HG22 ' A' ' 54' ' ' THR . 1.3 mm? -68.16 -42.14 80.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -70.32 -44.13 68.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -63.86 -40.48 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.3 m -68.42 -54.37 17.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 50' ' ' LEU . 13.8 t -64.91 -24.83 67.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.9 42.81 92.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.952 -179.837 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.73 103.21 15.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.839 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mtt -85.73 -67.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -51.78 -42.03 62.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.9 mmt-85 -64.06 -45.9 86.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.17 -42.46 98.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.01 -44.11 90.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -66.67 -48.8 68.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.723 HG13 HD22 ' A' ' 43' ' ' LEU . 91.9 t -63.61 -50.29 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -57.12 -51.6 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -63.9 -39.73 94.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -65.24 -37.46 87.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -69.63 -61.92 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -48.71 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.8 95.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -52.66 -66.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.52 -33.23 69.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.39 -70.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -64.22 -32.64 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -56.94 -69.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -16.95 54.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -76.61 -47.85 21.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -96.42 -59.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.6 mmt-85 -63.05 -54.56 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.96 38.87 76.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.98 160.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.46 126.32 7.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.98 36.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.715 2.276 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -99.81 163.41 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.61 -21.91 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.62 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 2.6 m-20 -69.06 -44.96 71.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -37.54 21.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' SER . 84.5 t -65.55 -50.76 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -7.04 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -73.68 -25.36 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.61 162.05 49.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.649 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.73 -179.76 3.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.23 . . . . 0.0 112.343 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.32 -62.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.95 -55.83 9.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.814 ' HA ' HD12 ' A' ' 43' ' ' LEU . 96.4 m -57.13 -44.48 83.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -54.86 -40.82 70.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.16 -51.12 57.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.1 mt -59.64 -47.57 85.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -60.32 -61.82 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -55.64 -25.55 39.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.99 -57.82 4.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.7 ' HB2' HD21 ' A' ' 13' ' ' LEU . 83.9 t80 -66.63 -26.36 67.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -43.26 51.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 98.4 m -70.56 -35.67 73.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.27 -42.4 55.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -70.06 -35.92 74.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -76.29 -44.49 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -74.47 -63.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -65.69 -51.29 60.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.81 40.92 2.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 57.8 36.36 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.6 ttp -86.87 -45.69 10.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -52.12 -51.87 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -57.65 -59.67 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -34.64 41.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -52.62 51.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.6 -43.26 97.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.59 HG13 HD22 ' A' ' 43' ' ' LEU . 99.5 t -65.31 -60.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -52.16 -43.91 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -42.03 83.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -61.12 -47.55 85.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -63.78 -54.31 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -51.67 -64.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -44.77 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -51.0 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -50.19 -31.4 13.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -73.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . . . -67.88 -30.18 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -57.26 -70.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.54 -14.96 56.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 50.7 ttm-85 -72.92 -48.04 40.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -96.99 -55.79 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -67.27 -68.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 35.24 53.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 176.6 165.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -44.64 121.07 4.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -169.58 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.234 . . . . 0.0 112.34 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.583 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.0 m -126.21 -177.46 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -66.76 -18.26 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.77 -48.84 52.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -76.45 -31.08 57.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 29' ' ' SER . 72.7 t -69.94 -49.37 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -76.13 -5.85 48.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.92 -30.52 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.51 161.03 52.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.078 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.3 Cg_endo -69.7 -177.06 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.98 -61.36 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -57.71 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.656 ' HA ' HD12 ' A' ' 43' ' ' LEU . 88.1 m -55.79 -40.34 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -45.9 84.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.52 -51.76 67.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -61.31 -45.78 93.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.521 ' OH ' HG22 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -63.16 -60.27 3.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -25.2 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -71.08 -54.94 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.73 ' CD1' HD21 ' A' ' 13' ' ' LEU . 40.8 t80 -72.0 -27.34 62.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -74.27 -45.6 46.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.8 m -71.34 -38.51 71.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 54' ' ' THR . 0.7 OUTLIER -69.8 -44.55 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -68.38 -41.58 80.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.22 -40.67 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.4 m -67.97 -54.23 20.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.611 HG23 ' H ' ' A' ' 56' ' ' GLN . 13.2 t -65.47 -25.1 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.63 -34.46 4.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.611 ' H ' HG23 ' A' ' 54' ' ' THR . 7.3 tp60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 55.72 42.5 29.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 110.885 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -54.16 32.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.93 -41.66 62.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 9' ' ' VAL . 31.8 mmt180 -64.3 -54.93 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -39.75 74.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -54.05 44.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -61.06 -49.73 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.917 HG22 HD11 ' A' ' 43' ' ' LEU . 99.2 t -59.12 -58.28 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -51.79 -42.1 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -67.82 -41.19 83.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' HD2' HG23 ' A' ' 40' ' ' THR . 25.7 mmt-85 -61.5 -47.77 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.757 HD21 ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.09 -54.65 30.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -51.6 -63.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.12 -44.6 64.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -51.09 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -49.8 -31.19 11.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -73.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -67.79 -27.55 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -60.73 -71.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -62.43 -15.33 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -66.29 -57.86 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -97.01 -47.38 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.87 -68.6 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.81 35.26 84.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 176.58 163.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.28 123.05 5.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.21 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 33' ' ' VAL . 95.3 p -126.3 -176.48 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -67.99 -18.88 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 3.7 m-20 -70.94 -46.58 62.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -77.49 -35.57 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 29' ' ' SER . 90.6 t -66.84 -50.05 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -4.85 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -73.74 -31.83 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.45 160.95 52.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.611 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.1 Cg_endo -69.73 175.8 7.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.15 -48.11 81.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.02 -62.88 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.474 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 11.4 m -54.93 -38.27 67.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -57.04 -51.1 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.51 -50.64 73.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.917 HD11 HG22 ' A' ' 9' ' ' VAL . 25.3 mt -58.89 -51.46 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE2' HG22 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -59.78 -56.69 18.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -55.54 -25.71 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.7 mt-10 -71.48 -56.41 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.757 ' CD1' HD21 ' A' ' 13' ' ' LEU . 41.4 t80 -70.21 -27.65 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -49.86 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 53' ' ' THR . 91.9 m -66.77 -35.32 79.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 46' ' ' GLU . 29.8 mt -73.67 -43.5 59.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -27.0 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -82.56 -37.15 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 50' ' ' LEU . 8.7 t -79.68 -29.64 40.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -97.47 -20.98 17.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.09 43.05 49.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.925 -179.863 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.02 34.81 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 mmt -88.89 -38.53 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.95 -50.51 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 9' ' ' VAL . 13.9 mmt-85 -61.42 -35.87 78.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 6' ' ' LEU . 5.2 mt -63.32 -54.32 38.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -36.66 84.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.52 -56.0 11.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 5' ' ' ARG . 93.0 t -62.2 -48.3 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -52.77 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.24 -39.71 95.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -65.0 -37.73 88.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.613 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -69.67 -62.59 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -48.9 55.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.67 95.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 30.4 t-105 -52.28 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -55.05 -35.72 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -52.98 -72.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -63.79 -36.16 82.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -51.73 -71.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -59.27 -17.67 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -67.35 -46.15 74.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -96.0 -44.09 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -70.29 -57.29 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.03 33.17 78.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.03 -175.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 146.79 6.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.41 5.59 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.5 151.05 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -50.54 -28.83 9.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.94 -47.35 65.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -70.54 -26.29 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.01 -32.14 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -14.18 59.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.83 -36.49 67.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.79 160.29 53.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.74 -174.87 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.76 -63.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -53.93 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.833 ' HA ' HD12 ' A' ' 43' ' ' LEU . 97.4 m -58.06 -42.43 85.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -56.7 -41.63 77.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.02 70.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.3 mt -62.18 -50.51 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -57.49 -54.33 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -25.11 67.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.09 -61.38 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.613 ' CB ' HD21 ' A' ' 13' ' ' LEU . 5.5 t80 -68.39 -26.37 65.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -41.63 64.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' THR . 94.9 m -73.35 -39.19 65.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.7 -40.15 73.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -72.5 -40.32 66.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -66.78 -48.15 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 49' ' ' THR . 73.3 p -67.43 -54.17 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.5 m -64.91 -22.55 67.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.0 -34.26 4.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.905 -179.887 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.57 100.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mmm -84.95 -61.49 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -52.23 -46.85 65.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 9' ' ' VAL . 52.8 mmt-85 -62.26 -51.67 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.66 -39.21 76.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 ttp85 -63.94 -51.28 65.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -63.01 -47.99 80.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG13 HD22 ' A' ' 43' ' ' LEU . 89.5 t -61.72 -59.43 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -52.16 -42.22 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.75 -41.12 83.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -48.03 82.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.737 HD21 ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -63.8 -54.55 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -51.67 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.33 -45.21 62.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.6 t-105 -50.9 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.62 -30.33 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -72.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -68.23 -24.8 64.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.12 -68.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -66.27 -12.22 55.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 2.9 mmt180 -75.63 -45.29 38.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -96.4 -42.84 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -86.56 -76.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.47 34.39 12.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.79 167.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -44.65 117.5 3.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -169.78 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.628 ' O ' HG23 ' A' ' 33' ' ' VAL . 19.8 p -123.14 -176.36 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -67.05 -17.62 64.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 22.0 m-20 -71.28 -45.29 63.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -79.32 -28.6 42.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' SER . 97.8 t -72.54 -49.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -5.38 47.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -73.65 -30.83 63.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.609 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.64 160.96 52.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.609 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.7 Cg_endo -69.72 -175.94 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.741 2.294 . . . . 0.0 112.351 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -62.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.5 -56.78 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.589 ' HA ' HD12 ' A' ' 43' ' ' LEU . 89.6 m -56.25 -40.62 74.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.72 -44.59 86.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.99 -52.64 63.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.603 HD22 HG13 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -61.73 -44.47 96.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.472 ' CE2' HG22 ' A' ' 33' ' ' VAL . 1.5 t80 -63.4 -61.1 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -25.11 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.616 ' O ' HD12 ' A' ' 50' ' ' LEU . 38.8 tt0 -70.29 -57.26 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.737 ' CD1' HD21 ' A' ' 13' ' ' LEU . 40.8 t80 -71.22 -27.37 63.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -48.16 27.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 53' ' ' THR . 91.0 m -69.24 -36.64 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 46' ' ' GLU . 4.4 mt -71.49 -44.2 65.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -39.8 80.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -52.02 47.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 49' ' ' THR . 74.3 p -63.9 -52.98 57.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.6 m -64.94 -24.87 67.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.91 19.76 79.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 103.09 15.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mtt -88.65 -68.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.85 -41.59 61.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -66.3 -38.82 88.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -57.21 11.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -61.51 -37.57 84.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -65.59 -58.74 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.736 HG13 HD22 ' A' ' 43' ' ' LEU . 94.0 t -60.27 -50.83 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -54.02 -51.56 63.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.7 -42.22 98.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -59.76 -48.64 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.628 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -62.47 -47.53 83.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -52.98 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.55 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -51.29 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -56.31 -30.87 63.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.4 78.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -50.5 -65.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -66.9 -10.75 52.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -75.28 -47.36 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -97.73 -43.9 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -74.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.94 29.15 21.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.511 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 176.9 151.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.07 133.38 4.23 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.64 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -122.11 172.28 8.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.22 -19.73 55.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.61 -49.51 25.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -26.66 52.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 29' ' ' SER . 88.0 t -77.84 -39.42 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -75.9 -12.31 60.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.49 -23.63 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.673 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.87 162.75 46.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.673 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.1 Cg_endo -69.77 -178.62 2.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -60.26 -65.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.47 -56.82 5.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.826 ' HA ' HD12 ' A' ' 43' ' ' LEU . 94.0 m -56.17 -46.74 79.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -51.66 -42.23 61.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.94 -53.14 43.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -57.7 -52.53 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -55.38 -55.57 30.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -26.1 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.73 -60.11 2.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.628 ' CB ' HD21 ' A' ' 13' ' ' LEU . 81.3 t80 -68.88 -26.15 64.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -74.71 -45.2 45.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 84.0 m -68.69 -39.65 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.571 ' O ' HG22 ' A' ' 54' ' ' THR . 0.2 OUTLIER -70.66 -44.26 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -63.46 -48.59 77.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -63.23 -53.9 45.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.3 m -51.15 -59.8 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 50' ' ' LEU . 6.5 t -64.84 -22.13 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.08 39.07 59.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.2 ptm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.755 0.312 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.4 -45.78 78.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.574 ' O ' HG23 ' A' ' 9' ' ' VAL . 15.2 mmt180 -67.12 -50.11 62.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.49 -42.06 91.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.64 -48.29 75.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.04 -49.21 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 5' ' ' ARG . 92.7 t -62.66 -53.27 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.88 -48.78 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -65.97 -42.79 89.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -45.86 91.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.563 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.75 -50.2 67.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.97 -64.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.9 -41.74 71.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -52.08 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -51.91 -31.99 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -55.12 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.61 74.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.87 -65.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -68.84 -12.26 61.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -48.99 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -96.62 -50.53 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -64.82 -43.1 94.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.07 32.38 27.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 176.77 173.32 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -47.62 140.91 7.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 175.51 8.02 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.665 2.243 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.582 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -124.42 163.07 22.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.87 -21.49 43.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -70.73 -47.53 59.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.57 -32.9 31.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 29' ' ' SER . 86.4 t -69.12 -47.57 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.66 -10.33 59.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.2 -29.58 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.57 161.23 51.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.042 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.1 Cg_endo -69.77 177.86 5.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.42 -59.13 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -50.11 -58.39 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.9 m -55.78 -45.18 78.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -52.85 -46.27 67.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.41 84.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.87 -50.51 73.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -61.42 -54.43 43.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -60.35 -25.53 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -70.82 -59.68 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CG ' HD21 ' A' ' 13' ' ' LEU . 10.8 t80 -68.39 -26.13 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -42.86 57.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 91.0 m -72.43 -36.27 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -41.76 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -71.13 -40.81 71.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -68.93 -49.22 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 ptt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.779 0.323 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.09 -51.19 70.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 9' ' ' VAL . 68.9 mmt-85 -58.37 -48.4 80.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -59.72 -52.43 65.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -58.67 -46.74 86.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -61.82 -61.09 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 5' ' ' ARG . 93.8 t -53.42 -57.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -51.95 -42.2 62.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -66.83 -40.74 88.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -60.8 -46.62 89.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.594 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.94 -50.83 64.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -51.63 -63.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.58 -42.04 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -51.56 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.3 -33.69 29.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -53.99 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.2 77.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.76 -67.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -13.2 43.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -75.24 -42.32 55.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -96.48 -44.05 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.3 mmt-85 -73.98 -44.94 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.74 32.94 70.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 177.0 -175.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.7 152.41 2.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.5 7.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.6 t -135.47 157.24 47.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -57.51 -20.88 34.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -71.55 -47.72 53.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.72 -31.64 31.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 29' ' ' SER . 86.9 t -70.73 -48.76 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.65 -8.41 56.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.24 -34.24 63.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.62 160.87 52.52 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.1 Cg_endo -69.69 -177.8 2.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.94 -59.67 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -49.47 -54.7 16.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.742 ' HA ' HD12 ' A' ' 43' ' ' LEU . 60.4 m -57.48 -47.11 82.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -54.88 -37.36 66.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.16 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.046 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 40' ' ' THR . 0.9 OUTLIER -61.76 -45.43 93.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -60.71 -56.52 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.95 -25.12 68.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -67.55 -62.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CB ' HD21 ' A' ' 13' ' ' LEU . 21.5 t80 -67.49 -26.21 66.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -73.04 -40.49 65.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.4 m -74.47 -38.33 62.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.02 -38.43 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -73.96 -43.5 57.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -67.36 -42.4 83.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.6 ptt? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.76 0.314 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.41 -44.47 89.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 9' ' ' VAL . 22.3 tpp180 -63.91 -57.41 9.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.0 tp -56.09 -37.39 69.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -64.39 -52.55 57.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -62.73 -46.35 88.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 5' ' ' ARG . 85.5 t -62.72 -59.92 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -52.09 -42.6 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -67.32 -41.49 85.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -60.71 -45.69 93.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.566 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -65.45 -51.48 59.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -51.5 -62.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.59 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -52.17 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -52.38 -33.25 42.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -74.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.21 79.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -50.53 -66.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -64.28 -13.8 51.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.34 -41.51 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -96.24 -43.92 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -76.53 -58.77 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.0 33.04 60.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 176.74 -167.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.96 154.5 1.86 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.594 0.711 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' VAL . 49.2 m -153.56 155.21 35.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -21.16 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -47.76 50.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -30.43 34.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 29' ' ' SER . 88.5 t -71.9 -47.47 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -75.55 -9.5 58.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.32 -37.43 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.608 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.46 161.24 52.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.608 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.6 Cg_endo -69.74 -172.26 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -48.52 21.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.672 ' HA ' HD12 ' A' ' 43' ' ' LEU . 97.5 m -62.79 -44.87 95.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -37.8 70.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.67 -50.86 47.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.2 mt -61.74 -45.21 94.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -61.39 -57.84 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -61.3 -25.17 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -67.99 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CB ' HD21 ' A' ' 13' ' ' LEU . 15.2 t80 -66.38 -26.5 67.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -46.79 43.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 53' ' ' THR . 74.6 m -67.21 -38.11 84.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' HA ' HG22 ' A' ' 53' ' ' THR . 3.0 mm? -72.42 -40.94 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -74.14 -25.69 59.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -84.7 -33.7 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 50' ' ' LEU . 13.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -51.91 -42.12 62.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.8 tpt180 -66.93 -37.72 84.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -57.07 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.84 -36.62 83.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.04 -56.78 9.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 5' ' ' ARG . 87.8 t -62.59 -48.2 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -56.09 -49.81 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.39 -43.49 85.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.78 -45.26 92.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.615 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.79 -50.92 64.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -51.93 -63.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.26 70.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -51.77 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -51.99 -32.44 33.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -55.61 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.65 -31.13 72.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.17 -69.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -63.97 -16.95 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -76.01 -41.69 50.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -96.34 -56.27 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -64.1 -44.7 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.78 34.71 65.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 176.96 -175.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.41 151.91 3.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 176.48 6.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -137.58 156.19 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -56.78 -21.5 28.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -71.49 -47.82 53.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -31.52 36.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 29' ' ' SER . 90.8 t -70.75 -46.39 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -75.57 -10.68 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.67 63.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.608 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.5 161.2 52.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.631 0.729 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.608 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.7 Cg_endo -69.78 -175.09 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -62.0 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -48.67 -54.14 15.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.832 ' HA ' HD12 ' A' ' 43' ' ' LEU . 99.1 m -56.59 -47.36 79.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -41.2 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -50.7 65.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -60.63 -46.25 91.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -61.9 -58.28 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -59.48 -25.15 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -69.06 -60.88 2.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.615 ' CB ' HD21 ' A' ' 13' ' ' LEU . 15.2 t80 -68.41 -27.13 65.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -45.62 50.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.2 m -70.06 -36.79 75.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.6 -44.71 70.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -30.41 65.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -48.27 52.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.6 ttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.717 0.294 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.19 -45.4 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.2 tmm_? -62.11 -43.21 99.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.43 -44.02 92.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -63.47 -47.19 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.05 -52.22 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 5' ' ' ARG . 96.6 t -61.45 -57.57 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -51.81 -42.44 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.45 -40.31 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -60.84 -47.2 87.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.61 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.61 -49.89 69.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -51.82 -64.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.35 73.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -52.14 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -31.66 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.39 -73.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.97 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -53.59 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -64.31 -12.52 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -54.72 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -96.73 -41.07 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -69.1 -55.95 9.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.83 41.43 91.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 176.56 -171.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 158.81 1.64 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -175.96 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.42 153.11 38.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -54.7 -23.64 18.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -71.59 -42.11 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -37.54 28.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.72 -47.16 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.16 -6.68 50.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -91.62 24.84 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -152.62 161.09 30.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.73 174.14 9.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.03 -57.6 12.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -50.38 -56.13 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -57.51 -41.73 81.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -47.24 85.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.35 97.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.06 -53.46 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -61.54 -53.13 60.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -25.66 64.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.78 -61.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.61 ' CB ' HD21 ' A' ' 13' ' ' LEU . 8.9 t80 -65.27 -26.39 68.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -75.25 -47.64 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 53' ' ' THR . 78.2 m -66.23 -36.44 83.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' HA ' HG22 ' A' ' 53' ' ' THR . 1.7 mt -74.2 -42.83 59.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -72.1 -25.26 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -84.5 -38.3 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 50' ' ' LEU . 13.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.5 ptp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.745 0.307 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -59.92 -43.57 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.7 tpp180 -66.32 -39.95 89.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.81 -56.86 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -61.27 -38.79 88.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.69 -59.34 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 5' ' ' ARG . 95.1 t -59.24 -48.4 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -55.43 -48.15 74.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.88 -43.43 83.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.08 -45.69 92.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.609 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.37 -51.92 60.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -51.99 -63.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.15 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -52.82 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -51.64 -29.68 18.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -59.71 -75.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.62 74.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.86 -64.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -69.56 -10.21 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -75.53 -47.83 25.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -96.67 -40.76 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -61.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.16 43.26 81.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.57 -168.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -58.25 155.23 27.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.85 3.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.1 m -142.05 155.19 45.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -56.56 -21.57 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.6 -47.53 47.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.87 -29.1 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 29' ' ' SER . 92.7 t -73.51 -45.78 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.45 -11.13 59.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.36 62.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.48 160.67 53.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.71 -176.24 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.38 -62.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -48.25 -56.3 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.809 ' HA ' HD12 ' A' ' 43' ' ' LEU . 90.8 m -55.89 -44.83 78.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.524 ' HE ' HG12 ' A' ' 33' ' ' VAL . 6.2 mtp180 -55.47 -41.59 73.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.66 -49.84 69.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -61.63 -47.06 87.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -60.92 -56.36 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -25.79 67.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -67.83 -55.93 11.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.609 ' CB ' HD21 ' A' ' 13' ' ' LEU . 29.9 t80 -69.67 -26.63 64.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -43.05 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.3 m -72.57 -44.4 62.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -45.89 87.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -50.14 64.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -53.39 -53.75 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.73 0.3 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.43 -47.68 81.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -69.28 -28.07 65.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -52.52 48.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -33.44 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.32 -54.47 12.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 5' ' ' ARG . 71.9 t -62.9 -42.91 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -63.96 -47.84 78.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -66.26 -42.36 88.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -46.3 90.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.596 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.37 -50.87 66.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -52.03 -64.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.21 -41.94 69.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -52.3 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -51.51 -30.79 21.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -74.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.7 -30.83 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -56.41 -65.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -11.27 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -47.09 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -96.61 -40.18 9.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.29 -57.82 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.57 92.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.52 -169.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 148.59 75.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 167.94 23.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.562 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -123.82 159.3 29.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -57.96 -20.85 41.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 6.3 m-20 -71.08 -48.28 53.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -32.66 31.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 29' ' ' SER . 92.2 t -69.52 -50.51 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.68 -6.56 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.07 -35.72 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.726 ' HB1' ' HB ' ' A' ' 40' ' ' THR . . . -85.63 160.33 53.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.71 -179.87 3.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -58.88 -47.41 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.89 -59.37 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.818 ' HA ' HD12 ' A' ' 43' ' ' LEU . 14.7 m -54.91 -45.09 74.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -55.71 -46.06 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.14 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.1 mt -61.04 -50.4 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -59.21 -55.93 28.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -25.34 66.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.61 -63.65 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.596 ' CB ' HD21 ' A' ' 13' ' ' LEU . 16.3 t80 -65.71 -26.22 67.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -73.68 -45.45 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.536 ' O ' HG22 ' A' ' 53' ' ' THR . 71.1 m -67.91 -39.11 83.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.65 -40.79 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 -27.93 61.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -78.31 -41.31 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 49' ' ' THR . 14.9 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 tmm? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.733 0.301 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.95 -51.52 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.6 mmt180 -64.71 -33.3 75.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -61.38 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -34.44 76.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -66.14 -57.96 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.515 HG13 HD13 ' A' ' 43' ' ' LEU . 94.7 t -63.36 -46.64 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -56.2 -51.78 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -65.36 -42.81 92.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -59.71 -45.54 91.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.611 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.71 -50.63 66.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -51.74 -63.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.05 -41.99 72.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -51.57 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -51.04 -33.01 23.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.57 78.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -49.99 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -64.7 -13.91 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -41.68 56.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -96.14 -43.75 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -77.35 -50.63 12.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.72 29.02 74.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 177.05 -174.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 143.63 6.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 167.78 23.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -120.39 159.35 25.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -20.76 36.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -71.68 -47.91 51.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -30.77 31.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 29' ' ' SER . 97.1 t -71.4 -47.68 57.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -9.75 58.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.23 -32.33 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.61 160.63 53.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.76 -176.7 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.44 -61.72 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.7 -55.67 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.8 m -54.47 -49.99 68.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -53.59 -36.22 61.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.63 -52.6 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.515 HD13 HG13 ' A' ' 9' ' ' VAL . 16.3 mt -62.55 -43.59 98.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -60.48 -58.26 9.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -62.68 -25.19 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -66.91 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.611 ' CB ' HD21 ' A' ' 13' ' ' LEU . 9.6 t80 -65.75 -26.7 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -46.81 36.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 53' ' ' THR . 73.1 m -68.2 -33.42 74.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -74.88 -44.04 51.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -24.31 61.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -84.61 -38.34 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' THR . 12.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.755 0.312 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -53.99 -51.22 64.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -63.79 -34.35 77.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -60.74 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -62.28 -35.11 77.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.68 -58.26 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.734 HG13 HD22 ' A' ' 43' ' ' LEU . 97.9 t -62.81 -48.64 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -50.72 68.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -42.69 92.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -59.66 -46.25 89.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.5 -49.49 71.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -52.08 -64.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.29 -41.49 72.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -51.52 -76.08 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -51.74 -33.51 35.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.49 -34.33 77.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -49.51 -65.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -67.8 -11.67 58.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -75.29 -49.44 19.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -95.99 -48.39 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -64.73 -50.41 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.85 29.48 67.68 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 178.1 169.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.348 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.98 142.45 2.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 166.15 28.53 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -113.77 161.26 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -58.11 -21.02 44.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 3.8 m-20 -70.89 -47.75 57.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.9 -32.59 30.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 29' ' ' SER . 89.9 t -69.45 -47.87 70.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.52 -9.89 58.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.02 -28.93 61.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.54 161.67 50.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.071 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.83 -174.7 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -64.0 -60.54 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.98 -49.38 40.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.616 ' HA ' HD12 ' A' ' 43' ' ' LEU . 97.1 m -61.81 -44.81 96.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -38.04 73.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -51.0 49.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.734 HD22 HG13 ' A' ' 9' ' ' VAL . 1.1 mt -62.4 -44.82 95.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.47 -56.15 24.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -63.34 -25.29 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.45 -56.14 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.612 ' CB ' HD21 ' A' ' 13' ' ' LEU . 67.8 t80 -70.61 -26.45 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -72.3 -42.0 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -75.17 -38.59 60.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.97 -39.46 75.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -44.92 54.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -37.24 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.5 ttm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.758 0.314 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -55.72 -52.13 64.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.5 mmt-85 -60.71 -37.65 82.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -54.68 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -44.52 93.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -61.78 -60.89 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 5' ' ' ARG . 90.2 t -55.23 -49.83 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.56 -32.69 71.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.63 -57.39 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.714 ' HD2' HD13 ' A' ' 43' ' ' LEU . 14.8 ptp180 -56.16 -37.88 70.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.642 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -65.02 -55.53 18.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -51.62 -59.32 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.24 -43.06 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -52.0 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.26 -34.25 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -53.47 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -34.68 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -49.66 -65.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -67.29 -11.73 58.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -49.81 18.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -95.91 -48.28 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.49 -41.38 96.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.97 31.19 17.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.37 176.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.14 145.51 2.55 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 171.3 14.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -125.33 160.03 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -21.24 40.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 2.1 t70 -70.69 -47.34 60.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.38 -32.77 29.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 29' ' ' SER . 87.0 t -69.08 -48.11 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.64 -10.58 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.6 -29.23 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.622 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.59 161.26 51.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 111.085 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.622 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.78 179.63 3.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.97 -61.78 2.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -48.38 -55.91 9.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.817 ' HA ' HD12 ' A' ' 43' ' ' LEU . 95.4 m -57.25 -41.97 80.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -42.44 78.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.7 65.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.2 mt -60.49 -51.21 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -56.94 -51.07 70.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.05 -25.82 68.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.6 -60.18 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.642 ' CG ' HD21 ' A' ' 13' ' ' LEU . 87.3 t80 -67.73 -26.42 66.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -43.23 64.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.1 m -71.97 -37.99 69.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mp -72.23 -37.02 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -71.58 -46.61 58.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -42.59 83.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.914 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.736 0.303 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -51.82 -41.95 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -66.47 -38.18 86.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.95 -55.71 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -64.12 -36.21 83.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -66.37 -54.44 24.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.779 HG13 HD22 ' A' ' 43' ' ' LEU . 87.5 t -65.02 -47.99 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -56.53 -51.54 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.08 -42.27 89.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.88 -46.6 88.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.687 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -64.28 -51.49 63.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -51.63 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.35 -43.29 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -51.18 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.49 -32.46 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -74.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.85 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -51.12 -66.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -12.83 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -41.86 51.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -96.48 -44.37 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -72.94 -42.04 63.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.66 31.11 63.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 176.82 -169.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.19 150.03 8.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.83 26.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.747 2.298 . . . . 0.0 112.33 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 33' ' ' VAL . 10.1 m -123.75 157.18 34.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.55 -20.75 34.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.58 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 10.7 m-20 -71.37 -44.72 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.71 -33.0 23.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 29' ' ' SER . 79.2 t -70.0 -49.89 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.66 -7.66 54.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.39 -32.45 62.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.6 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.78 161.05 51.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.6 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.2 Cg_endo -69.81 -175.65 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -59.88 -59.9 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.38 -55.35 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.83 ' HA ' HD12 ' A' ' 43' ' ' LEU . 36.1 m -56.84 -49.61 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -52.87 -37.84 60.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.31 -51.87 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 40' ' ' THR . 0.9 OUTLIER -59.64 -49.29 78.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -57.24 -55.9 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -62.87 -23.81 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.42 -64.2 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.687 ' CG ' HD21 ' A' ' 13' ' ' LEU . 1.3 p90 -67.08 -26.27 66.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -71.81 -40.63 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 85.0 m -74.65 -39.93 61.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.13 -37.78 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -74.78 -46.03 39.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -65.78 -36.38 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.687 0.28 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.96 -45.84 89.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.529 ' O ' HG23 ' A' ' 9' ' ' VAL . 15.2 mmt180 -66.51 -46.21 77.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -53.82 52.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -59.53 -43.34 93.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -63.48 -60.47 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 43' ' ' LEU . 88.7 t -55.45 -55.16 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -51.92 -46.38 64.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.47 -39.11 91.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -61.51 -49.64 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -48.73 77.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -53.9 -66.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.72 -40.31 62.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -53.65 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.25 -28.69 59.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -67.39 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.13 -32.85 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -60.65 -62.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -67.21 -11.27 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -45.47 44.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.71 -40.04 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt-85 -75.59 -74.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.11 43.5 6.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.41 -169.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.323 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.7 152.26 37.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 179.0 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.0 158.87 43.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -25.53 37.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -41.44 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -35.52 47.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.18 -38.71 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.71 -13.01 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.92 29.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -152.88 162.24 26.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.566 0.698 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.6 Cg_endo -69.8 179.63 3.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.28 -60.55 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.75 -54.64 14.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.7 m -59.91 -43.44 94.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.191 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -53.77 -44.89 70.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 -47.64 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.57 ' CD1' HG13 ' A' ' 9' ' ' VAL . 13.1 mt -55.3 -50.71 68.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -63.19 -61.49 2.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -52.43 -25.8 10.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.11 -60.77 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -65.42 -27.53 68.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -47.36 25.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.7 m -63.76 -40.18 96.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.91 -44.56 65.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -49.53 66.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -62.43 -59.38 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.888 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.77 0.319 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.89 -41.21 61.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.8 mmt180 -64.69 -55.89 17.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.55 -37.31 67.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -65.13 -54.68 26.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -60.68 -43.99 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 5' ' ' ARG . 98.3 t -65.04 -61.88 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.56 -33.19 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -68.98 -48.87 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -41.29 85.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.667 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -65.97 -52.86 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -51.48 -61.0 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.2 78.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -52.06 -75.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.76 -34.3 38.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.75 78.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -50.04 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -65.29 -12.23 49.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -53.98 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -96.38 -42.98 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -47.52 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.14 33.57 30.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.52 171.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.4 140.64 5.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.833 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.92 29.37 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -111.82 160.76 17.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.45 -21.66 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.2 m-20 -70.28 -46.26 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -35.32 26.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 29' ' ' SER . 91.8 t -67.19 -49.47 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.66 -8.28 56.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.23 -30.55 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.607 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.46 161.1 52.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.54 0.685 . . . . 0.0 111.147 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.79 179.24 3.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.6 -58.75 6.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.94 -54.25 21.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.833 ' HA ' HD12 ' A' ' 43' ' ' LEU . 86.7 m -57.41 -48.25 79.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.68 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.33 -51.49 56.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.1 mt -59.12 -50.5 73.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -57.13 -52.9 63.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -62.8 -25.36 68.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.93 -55.58 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.667 ' CB ' HD21 ' A' ' 13' ' ' LEU . 71.0 t80 -69.35 -26.46 64.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -42.33 60.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.2 m -73.61 -36.33 65.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.15 -40.8 64.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -41.96 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -68.28 -46.84 69.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.891 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.723 0.297 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.67 -42.47 92.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 9' ' ' VAL . 23.1 tpp180 -67.45 -43.35 81.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.08 -53.0 61.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -40.25 96.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.68 -55.66 18.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 5' ' ' ARG . 93.9 t -61.71 -53.32 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -52.61 -48.58 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -42.6 89.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -59.98 -46.2 90.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.589 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.48 -50.11 68.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -52.03 -64.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.08 -41.26 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -52.73 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -51.05 -31.29 18.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -56.95 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -63.47 -28.07 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -58.39 -70.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -63.34 -17.07 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 6.1 mmm-85 -76.69 -38.2 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -96.23 -50.46 4.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -67.63 -51.76 46.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.28 64.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.58 -169.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -56.61 154.66 16.6 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 177.65 5.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.594 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -138.73 156.07 47.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -57.22 -20.96 30.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.8 -46.42 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -30.48 28.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 29' ' ' SER . 93.8 t -71.96 -46.55 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.65 -10.87 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.27 -32.2 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.621 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.57 161.35 51.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.553 0.692 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.621 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.75 -172.87 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.259 . . . . 0.0 112.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.03 -62.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -47.98 -49.66 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.655 ' HA ' HD12 ' A' ' 43' ' ' LEU . 96.9 m -61.11 -46.81 89.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -37.57 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.11 -50.68 53.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.3 mt -62.33 -44.81 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -60.7 -56.02 26.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -63.78 -24.8 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.6 -60.96 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CB ' HD21 ' A' ' 13' ' ' LEU . 14.9 t80 -69.0 -26.28 64.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.73 -41.75 64.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.2 m -73.38 -41.2 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -68.16 -42.14 80.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -70.32 -44.13 68.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -63.86 -40.48 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.728 0.299 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -51.78 -42.03 62.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.9 mmt-85 -64.06 -45.9 86.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.17 -42.46 98.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.01 -44.11 90.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -66.67 -48.8 68.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.723 HG13 HD22 ' A' ' 43' ' ' LEU . 91.9 t -63.61 -50.29 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -57.12 -51.6 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -63.9 -39.73 94.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -65.24 -37.46 87.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -69.63 -61.92 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -48.71 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.8 95.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -52.66 -66.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.52 -33.23 69.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.39 -70.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -64.22 -32.64 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -56.94 -69.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -16.95 54.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -76.61 -47.85 21.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -96.42 -59.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.6 mmt-85 -63.05 -54.56 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.96 38.87 76.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.98 160.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.46 126.32 7.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.98 36.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.715 2.276 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -99.81 163.41 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.61 -21.91 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.62 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 2.6 m-20 -69.06 -44.96 71.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -37.54 21.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' SER . 84.5 t -65.55 -50.76 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -7.04 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -73.68 -25.36 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.61 162.05 49.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.649 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.73 -179.76 3.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.23 . . . . 0.0 112.343 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.32 -62.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.95 -55.83 9.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.814 ' HA ' HD12 ' A' ' 43' ' ' LEU . 96.4 m -57.13 -44.48 83.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -54.86 -40.82 70.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.16 -51.12 57.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.1 mt -59.64 -47.57 85.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -60.32 -61.82 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -55.64 -25.55 39.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.99 -57.82 4.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.7 ' HB2' HD21 ' A' ' 13' ' ' LEU . 83.9 t80 -66.63 -26.36 67.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -43.26 51.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 98.4 m -70.56 -35.67 73.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.27 -42.4 55.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -70.06 -35.92 74.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -76.29 -44.49 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.902 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -52.12 -51.87 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -57.65 -59.67 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -34.64 41.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -52.62 51.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.6 -43.26 97.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.59 HG13 HD22 ' A' ' 43' ' ' LEU . 99.5 t -65.31 -60.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -52.16 -43.91 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -42.03 83.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -61.12 -47.55 85.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -63.78 -54.31 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -51.67 -64.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -44.77 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -51.0 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -50.19 -31.4 13.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -73.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . . . -67.88 -30.18 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -57.26 -70.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.54 -14.96 56.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 50.7 ttm-85 -72.92 -48.04 40.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -96.99 -55.79 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -67.27 -68.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 35.24 53.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 176.6 165.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -44.64 121.07 4.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -169.58 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.234 . . . . 0.0 112.34 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.583 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.0 m -126.21 -177.46 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -66.76 -18.26 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.77 -48.84 52.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -76.45 -31.08 57.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 29' ' ' SER . 72.7 t -69.94 -49.37 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -76.13 -5.85 48.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.92 -30.52 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.51 161.03 52.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.078 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.3 Cg_endo -69.7 -177.06 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.98 -61.36 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -57.71 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.656 ' HA ' HD12 ' A' ' 43' ' ' LEU . 88.1 m -55.79 -40.34 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -45.9 84.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.52 -51.76 67.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -61.31 -45.78 93.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.521 ' OH ' HG22 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -63.16 -60.27 3.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -25.2 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -71.08 -54.94 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.73 ' CD1' HD21 ' A' ' 13' ' ' LEU . 40.8 t80 -72.0 -27.34 62.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -74.27 -45.6 46.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.8 m -71.34 -38.51 71.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -69.8 -44.55 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -68.38 -41.58 80.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.22 -40.67 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.4 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 -179.874 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.763 0.316 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.93 -41.66 62.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 9' ' ' VAL . 31.8 mmt180 -64.3 -54.93 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -39.75 74.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -54.05 44.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -61.06 -49.73 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.917 HG22 HD11 ' A' ' 43' ' ' LEU . 99.2 t -59.12 -58.28 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -51.79 -42.1 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -67.82 -41.19 83.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.415 ' HD2' HG23 ' A' ' 40' ' ' THR . 25.7 mmt-85 -61.5 -47.77 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.757 HD21 ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.09 -54.65 30.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -51.6 -63.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.12 -44.6 64.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -51.09 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -49.8 -31.19 11.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -73.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -67.79 -27.55 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -60.73 -71.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -62.43 -15.33 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -66.29 -57.86 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -97.01 -47.38 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.87 -68.6 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.81 35.26 84.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 176.58 163.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.28 123.05 5.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.21 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 33' ' ' VAL . 95.3 p -126.3 -176.48 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -67.99 -18.88 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 3.7 m-20 -70.94 -46.58 62.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -77.49 -35.57 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 29' ' ' SER . 90.6 t -66.84 -50.05 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -4.85 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -73.74 -31.83 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.45 160.95 52.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.611 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.1 Cg_endo -69.73 175.8 7.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.15 -48.11 81.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.02 -62.88 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.474 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 11.4 m -54.93 -38.27 67.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -57.04 -51.1 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.51 -50.64 73.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.917 HD11 HG22 ' A' ' 9' ' ' VAL . 25.3 mt -58.89 -51.46 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE2' HG22 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -59.78 -56.69 18.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -55.54 -25.71 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.7 mt-10 -71.48 -56.41 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.757 ' CD1' HD21 ' A' ' 13' ' ' LEU . 41.4 t80 -70.21 -27.65 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -49.86 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 53' ' ' THR . 91.9 m -66.77 -35.32 79.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 46' ' ' GLU . 29.8 mt -73.67 -43.5 59.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -27.0 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -82.56 -37.15 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 50' ' ' LEU . 8.7 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.73 0.3 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.95 -50.51 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 9' ' ' VAL . 13.9 mmt-85 -61.42 -35.87 78.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 6' ' ' LEU . 5.2 mt -63.32 -54.32 38.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -36.66 84.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.52 -56.0 11.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 5' ' ' ARG . 93.0 t -62.2 -48.3 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -52.77 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.24 -39.71 95.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -65.0 -37.73 88.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.613 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -69.67 -62.59 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -48.9 55.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.67 95.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 30.4 t-105 -52.28 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -55.05 -35.72 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -52.98 -72.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -63.79 -36.16 82.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -51.73 -71.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -59.27 -17.67 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -67.35 -46.15 74.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -96.0 -44.09 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -70.29 -57.29 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.03 33.17 78.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.03 -175.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 146.79 6.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.41 5.59 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.5 151.05 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -50.54 -28.83 9.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.94 -47.35 65.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -70.54 -26.29 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.01 -32.14 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -14.18 59.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.83 -36.49 67.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.79 160.29 53.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.74 -174.87 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.76 -63.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -53.93 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.833 ' HA ' HD12 ' A' ' 43' ' ' LEU . 97.4 m -58.06 -42.43 85.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -56.7 -41.63 77.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.02 70.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.3 mt -62.18 -50.51 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -57.49 -54.33 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -25.11 67.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.09 -61.38 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.613 ' CB ' HD21 ' A' ' 13' ' ' LEU . 5.5 t80 -68.39 -26.37 65.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -41.63 64.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' THR . 94.9 m -73.35 -39.19 65.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.7 -40.15 73.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -72.5 -40.32 66.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -66.78 -48.15 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 49' ' ' THR . 73.3 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -52.23 -46.85 65.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 9' ' ' VAL . 52.8 mmt-85 -62.26 -51.67 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.66 -39.21 76.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 ttp85 -63.94 -51.28 65.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -63.01 -47.99 80.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG13 HD22 ' A' ' 43' ' ' LEU . 89.5 t -61.72 -59.43 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -52.16 -42.22 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.75 -41.12 83.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -48.03 82.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.737 HD21 ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -63.8 -54.55 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -51.67 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.33 -45.21 62.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.6 t-105 -50.9 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.62 -30.33 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -72.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -68.23 -24.8 64.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.12 -68.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -66.27 -12.22 55.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 2.9 mmt180 -75.63 -45.29 38.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -96.4 -42.84 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -86.56 -76.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.47 34.39 12.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.79 167.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -44.65 117.5 3.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -169.78 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.628 ' O ' HG23 ' A' ' 33' ' ' VAL . 19.8 p -123.14 -176.36 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -67.05 -17.62 64.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 22.0 m-20 -71.28 -45.29 63.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -79.32 -28.6 42.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' SER . 97.8 t -72.54 -49.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -5.38 47.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -73.65 -30.83 63.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.609 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.64 160.96 52.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.609 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.7 Cg_endo -69.72 -175.94 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.741 2.294 . . . . 0.0 112.351 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -62.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.5 -56.78 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.589 ' HA ' HD12 ' A' ' 43' ' ' LEU . 89.6 m -56.25 -40.62 74.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.72 -44.59 86.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.99 -52.64 63.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.603 HD22 HG13 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -61.73 -44.47 96.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.472 ' CE2' HG22 ' A' ' 33' ' ' VAL . 1.5 t80 -63.4 -61.1 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -25.11 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.616 ' O ' HD12 ' A' ' 50' ' ' LEU . 38.8 tt0 -70.29 -57.26 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.737 ' CD1' HD21 ' A' ' 13' ' ' LEU . 40.8 t80 -71.22 -27.37 63.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -48.16 27.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 53' ' ' THR . 91.0 m -69.24 -36.64 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 46' ' ' GLU . 4.4 mt -71.49 -44.2 65.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -39.8 80.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -52.02 47.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 49' ' ' THR . 74.3 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.795 0.331 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.85 -41.59 61.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -66.3 -38.82 88.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -57.21 11.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -61.51 -37.57 84.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -65.59 -58.74 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.736 HG13 HD22 ' A' ' 43' ' ' LEU . 94.0 t -60.27 -50.83 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -54.02 -51.56 63.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.7 -42.22 98.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -59.76 -48.64 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.628 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -62.47 -47.53 83.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -52.98 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.55 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -51.29 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -56.31 -30.87 63.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.4 78.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -50.5 -65.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -66.9 -10.75 52.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -75.28 -47.36 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -97.73 -43.9 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -74.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.94 29.15 21.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.511 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 176.9 151.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.07 133.38 4.23 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.64 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -122.11 172.28 8.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.22 -19.73 55.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.61 -49.51 25.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -26.66 52.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 29' ' ' SER . 88.0 t -77.84 -39.42 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -75.9 -12.31 60.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.49 -23.63 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.673 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.87 162.75 46.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.673 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.1 Cg_endo -69.77 -178.62 2.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -60.26 -65.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.47 -56.82 5.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.826 ' HA ' HD12 ' A' ' 43' ' ' LEU . 94.0 m -56.17 -46.74 79.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -51.66 -42.23 61.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.94 -53.14 43.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -57.7 -52.53 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -55.38 -55.57 30.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -26.1 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.73 -60.11 2.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.628 ' CB ' HD21 ' A' ' 13' ' ' LEU . 81.3 t80 -68.88 -26.15 64.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -74.71 -45.2 45.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 84.0 m -68.69 -39.65 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.66 -44.26 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -63.46 -48.59 77.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -63.23 -53.9 45.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.3 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -88.72 86.73 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.2 ptm -80.46 -39.98 27.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.4 -45.78 78.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.574 ' O ' HG23 ' A' ' 9' ' ' VAL . 15.2 mmt180 -67.12 -50.11 62.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.49 -42.06 91.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.64 -48.29 75.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.04 -49.21 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 5' ' ' ARG . 92.7 t -62.66 -53.27 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.88 -48.78 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -65.97 -42.79 89.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -45.86 91.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.75 -50.2 67.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.97 -64.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.9 -41.74 71.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -52.08 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -51.91 -31.99 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -55.12 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.61 74.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.87 -65.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -68.84 -12.26 61.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -48.99 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -96.62 -50.53 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -64.82 -43.1 94.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.07 32.38 27.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 176.77 173.32 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -47.62 140.91 7.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 175.51 8.02 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.665 2.243 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.582 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -124.42 163.07 22.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.87 -21.49 43.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -70.73 -47.53 59.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.57 -32.9 31.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 29' ' ' SER . 86.4 t -69.12 -47.57 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.66 -10.33 59.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.2 -29.58 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.57 161.23 51.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.042 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.1 Cg_endo -69.77 177.86 5.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.42 -59.13 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -50.11 -58.39 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.9 m -55.78 -45.18 78.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -52.85 -46.27 67.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.41 84.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.87 -50.51 73.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -61.42 -54.43 43.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -60.35 -25.53 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -70.82 -59.68 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CG ' HD21 ' A' ' 13' ' ' LEU . 10.8 t80 -68.39 -26.13 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -42.86 57.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 91.0 m -72.43 -36.27 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -41.76 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -71.13 -40.81 71.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -68.93 -49.22 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -64.17 -53.49 48.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.4 m -65.04 -59.13 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.05 19.98 15.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -52.09 -40.87 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -52.52 -34.72 51.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.09 -51.19 70.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 9' ' ' VAL . 68.9 mmt-85 -58.37 -48.4 80.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -59.72 -52.43 65.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -58.67 -46.74 86.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -61.82 -61.09 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 5' ' ' ARG . 93.8 t -53.42 -57.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -51.95 -42.2 62.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -66.83 -40.74 88.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -60.8 -46.62 89.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.594 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.94 -50.83 64.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -51.63 -63.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.58 -42.04 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -51.56 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.3 -33.69 29.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -53.99 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.2 77.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.76 -67.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -13.2 43.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -75.24 -42.32 55.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -96.48 -44.05 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.3 mmt-85 -73.98 -44.94 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.74 32.94 70.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 177.0 -175.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.7 152.41 2.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.5 7.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.6 t -135.47 157.24 47.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -57.51 -20.88 34.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -71.55 -47.72 53.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.72 -31.64 31.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 29' ' ' SER . 86.9 t -70.73 -48.76 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.65 -8.41 56.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.24 -34.24 63.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.62 160.87 52.52 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.1 Cg_endo -69.69 -177.8 2.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.94 -59.67 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -49.47 -54.7 16.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.742 ' HA ' HD12 ' A' ' 43' ' ' LEU . 60.4 m -57.48 -47.11 82.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -54.88 -37.36 66.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.16 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.046 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 40' ' ' THR . 0.9 OUTLIER -61.76 -45.43 93.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -60.71 -56.52 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.95 -25.12 68.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -67.55 -62.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CB ' HD21 ' A' ' 13' ' ' LEU . 21.5 t80 -67.49 -26.21 66.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -73.04 -40.49 65.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.4 m -74.47 -38.33 62.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.02 -38.43 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -73.96 -43.5 57.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -67.36 -42.4 83.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.9 m -70.77 -55.3 8.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.8 m -64.95 -61.55 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.04 18.88 11.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.835 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.36 41.97 12.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -109.77 -38.17 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.41 -44.47 89.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 9' ' ' VAL . 22.3 tpp180 -63.91 -57.41 9.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.0 tp -56.09 -37.39 69.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -64.39 -52.55 57.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -62.73 -46.35 88.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 5' ' ' ARG . 85.5 t -62.72 -59.92 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -52.09 -42.6 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -67.32 -41.49 85.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -60.71 -45.69 93.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.566 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -65.45 -51.48 59.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -51.5 -62.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.59 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -52.17 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -52.38 -33.25 42.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -74.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.21 79.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -50.53 -66.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -64.28 -13.8 51.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.34 -41.51 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -96.24 -43.92 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -76.53 -58.77 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.0 33.04 60.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 176.74 -167.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.96 154.5 1.86 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.594 0.711 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' VAL . 49.2 m -153.56 155.21 35.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -21.16 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -47.76 50.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -30.43 34.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 29' ' ' SER . 88.5 t -71.9 -47.47 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -75.55 -9.5 58.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.32 -37.43 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.608 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.46 161.24 52.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.608 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.6 Cg_endo -69.74 -172.26 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -48.52 21.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.672 ' HA ' HD12 ' A' ' 43' ' ' LEU . 97.5 m -62.79 -44.87 95.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -37.8 70.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.67 -50.86 47.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.2 mt -61.74 -45.21 94.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -61.39 -57.84 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -61.3 -25.17 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -67.99 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CB ' HD21 ' A' ' 13' ' ' LEU . 15.2 t80 -66.38 -26.5 67.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -46.79 43.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 53' ' ' THR . 74.6 m -67.21 -38.11 84.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' HA ' HG22 ' A' ' 53' ' ' THR . 3.0 mm? -72.42 -40.94 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -74.14 -25.69 59.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -84.7 -33.7 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 50' ' ' LEU . 13.0 t -82.67 -30.88 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.0 t -70.26 -24.66 63.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.42 41.41 77.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.852 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -95.03 -34.27 12.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -58.28 9.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -51.91 -42.12 62.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.8 tpt180 -66.93 -37.72 84.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -57.07 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.84 -36.62 83.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.04 -56.78 9.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 5' ' ' ARG . 87.8 t -62.59 -48.2 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -56.09 -49.81 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.39 -43.49 85.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.78 -45.26 92.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.615 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.79 -50.92 64.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -51.93 -63.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.26 70.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -51.77 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -51.99 -32.44 33.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -55.61 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.65 -31.13 72.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.17 -69.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -63.97 -16.95 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -76.01 -41.69 50.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -96.34 -56.27 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -64.1 -44.7 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.78 34.71 65.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 176.96 -175.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.41 151.91 3.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 176.48 6.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -137.58 156.19 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -56.78 -21.5 28.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -71.49 -47.82 53.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -31.52 36.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 29' ' ' SER . 90.8 t -70.75 -46.39 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -75.57 -10.68 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.67 63.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.608 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.5 161.2 52.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.631 0.729 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.608 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.7 Cg_endo -69.78 -175.09 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -62.0 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -48.67 -54.14 15.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.832 ' HA ' HD12 ' A' ' 43' ' ' LEU . 99.1 m -56.59 -47.36 79.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -41.2 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -50.7 65.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -60.63 -46.25 91.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -61.9 -58.28 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -59.48 -25.15 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -69.06 -60.88 2.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.615 ' CB ' HD21 ' A' ' 13' ' ' LEU . 15.2 t80 -68.41 -27.13 65.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -45.62 50.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.2 m -70.06 -36.79 75.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.6 -44.71 70.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -30.41 65.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -48.27 52.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p -75.22 -57.48 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 m -64.65 -51.35 63.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.7 39.07 3.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -61.5 -176.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.6 ttt 72.12 -68.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.19 -45.4 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.2 tmm_? -62.11 -43.21 99.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.43 -44.02 92.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -63.47 -47.19 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.05 -52.22 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 5' ' ' ARG . 96.6 t -61.45 -57.57 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -51.81 -42.44 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.45 -40.31 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -60.84 -47.2 87.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.61 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.61 -49.89 69.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -51.82 -64.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.35 73.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -52.14 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -31.66 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.39 -73.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.97 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -53.59 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -64.31 -12.52 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -54.72 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -96.73 -41.07 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -69.1 -55.95 9.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.83 41.43 91.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 176.56 -171.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 158.81 1.64 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -175.96 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.42 153.11 38.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -54.7 -23.64 18.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -71.59 -42.11 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -37.54 28.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.72 -47.16 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.16 -6.68 50.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -91.62 24.84 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -152.62 161.09 30.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.73 174.14 9.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.03 -57.6 12.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -50.38 -56.13 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -57.51 -41.73 81.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -47.24 85.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.35 97.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.06 -53.46 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -61.54 -53.13 60.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -25.66 64.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.78 -61.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.61 ' CB ' HD21 ' A' ' 13' ' ' LEU . 8.9 t80 -65.27 -26.39 68.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -75.25 -47.64 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 53' ' ' THR . 78.2 m -66.23 -36.44 83.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' HA ' HG22 ' A' ' 53' ' ' THR . 1.7 mt -74.2 -42.83 59.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -72.1 -25.26 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -84.5 -38.3 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 50' ' ' LEU . 13.1 t -77.02 -31.03 56.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.458 HG23 ' H ' ' A' ' 56' ' ' GLN . 11.2 t -76.18 -23.09 54.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.41 -39.43 3.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.458 ' H ' HG23 ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.75 38.58 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.832 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.5 ptp -103.88 -38.54 6.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -59.92 -43.57 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.7 tpp180 -66.32 -39.95 89.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.81 -56.86 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -61.27 -38.79 88.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.69 -59.34 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 5' ' ' ARG . 95.1 t -59.24 -48.4 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -55.43 -48.15 74.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.88 -43.43 83.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.08 -45.69 92.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.609 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.37 -51.92 60.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -51.99 -63.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.15 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -52.82 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -51.64 -29.68 18.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -59.71 -75.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.62 74.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.86 -64.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -69.56 -10.21 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -75.53 -47.83 25.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -96.67 -40.76 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -61.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.16 43.26 81.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.57 -168.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -58.25 155.23 27.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.85 3.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.1 m -142.05 155.19 45.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -56.56 -21.57 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.6 -47.53 47.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.87 -29.1 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 29' ' ' SER . 92.7 t -73.51 -45.78 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.45 -11.13 59.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.36 62.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.48 160.67 53.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.71 -176.24 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.38 -62.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -48.25 -56.3 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.809 ' HA ' HD12 ' A' ' 43' ' ' LEU . 90.8 m -55.89 -44.83 78.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.524 ' HE ' HG12 ' A' ' 33' ' ' VAL . 6.2 mtp180 -55.47 -41.59 73.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.66 -49.84 69.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -61.63 -47.06 87.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -60.92 -56.36 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -25.79 67.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -67.83 -55.93 11.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.609 ' CB ' HD21 ' A' ' 13' ' ' LEU . 29.9 t80 -69.67 -26.63 64.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -43.05 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.3 m -72.57 -44.4 62.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -45.89 87.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -50.14 64.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -53.39 -53.75 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -67.75 -67.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.1 m -132.27 96.9 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.62 58.9 2.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.05 92.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.834 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.31 -52.49 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.43 -47.68 81.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -69.28 -28.07 65.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -52.52 48.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -33.44 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.32 -54.47 12.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 5' ' ' ARG . 71.9 t -62.9 -42.91 98.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -63.96 -47.84 78.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -66.26 -42.36 88.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -46.3 90.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.596 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.37 -50.87 66.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -52.03 -64.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.21 -41.94 69.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -52.3 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -51.51 -30.79 21.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -74.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.7 -30.83 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -56.41 -65.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -11.27 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -47.09 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -96.61 -40.18 9.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.29 -57.82 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.57 92.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.52 -169.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 148.59 75.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 167.94 23.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.562 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -123.82 159.3 29.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -57.96 -20.85 41.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 6.3 m-20 -71.08 -48.28 53.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -32.66 31.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 29' ' ' SER . 92.2 t -69.52 -50.51 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.68 -6.56 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.07 -35.72 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.726 ' HB1' ' HB ' ' A' ' 40' ' ' THR . . . -85.63 160.33 53.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.71 -179.87 3.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -58.88 -47.41 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.89 -59.37 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.818 ' HA ' HD12 ' A' ' 43' ' ' LEU . 14.7 m -54.91 -45.09 74.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -55.71 -46.06 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.14 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.1 mt -61.04 -50.4 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -59.21 -55.93 28.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -25.34 66.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.61 -63.65 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.596 ' CB ' HD21 ' A' ' 13' ' ' LEU . 16.3 t80 -65.71 -26.22 67.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -73.68 -45.45 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.536 ' O ' HG22 ' A' ' 53' ' ' THR . 71.1 m -67.91 -39.11 83.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.65 -40.79 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 -27.93 61.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -78.31 -41.31 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 49' ' ' THR . 14.9 t -78.05 -32.55 50.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.6 m -90.03 -20.64 23.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.87 41.68 87.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.935 -179.857 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -54.96 39.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -62.33 -42.53 99.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.95 -51.52 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.6 mmt180 -64.71 -33.3 75.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -61.38 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -34.44 76.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -66.14 -57.96 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.515 HG13 HD13 ' A' ' 43' ' ' LEU . 94.7 t -63.36 -46.64 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -56.2 -51.78 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -65.36 -42.81 92.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -59.71 -45.54 91.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.611 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.71 -50.63 66.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -51.74 -63.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.05 -41.99 72.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -51.57 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -51.04 -33.01 23.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.57 78.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -49.99 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -64.7 -13.91 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -41.68 56.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -96.14 -43.75 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -77.35 -50.63 12.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.72 29.02 74.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 177.05 -174.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 143.63 6.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 167.78 23.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -120.39 159.35 25.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -20.76 36.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -71.68 -47.91 51.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -30.77 31.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 29' ' ' SER . 97.1 t -71.4 -47.68 57.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -9.75 58.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.23 -32.33 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.61 160.63 53.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.76 -176.7 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.44 -61.72 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.7 -55.67 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.8 m -54.47 -49.99 68.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -53.59 -36.22 61.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.63 -52.6 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.515 HD13 HG13 ' A' ' 9' ' ' VAL . 16.3 mt -62.55 -43.59 98.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -60.48 -58.26 9.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -62.68 -25.19 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -66.91 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.611 ' CB ' HD21 ' A' ' 13' ' ' LEU . 9.6 t80 -65.75 -26.7 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -46.81 36.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 53' ' ' THR . 73.1 m -68.2 -33.42 74.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -74.88 -44.04 51.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -24.31 61.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -84.61 -38.34 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' THR . 12.0 t -77.78 -30.92 51.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 t -72.45 -24.09 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.85 26.72 36.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.901 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.72 -52.08 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 110.863 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.9 ttt -69.58 -44.07 71.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -53.99 -51.22 64.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -63.79 -34.35 77.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -60.74 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -62.28 -35.11 77.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.68 -58.26 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.734 HG13 HD22 ' A' ' 43' ' ' LEU . 97.9 t -62.81 -48.64 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -50.72 68.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -42.69 92.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -59.66 -46.25 89.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.5 -49.49 71.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -52.08 -64.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.29 -41.49 72.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -51.52 -76.08 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -51.74 -33.51 35.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.49 -34.33 77.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -49.51 -65.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -67.8 -11.67 58.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -75.29 -49.44 19.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -95.99 -48.39 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -64.73 -50.41 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.85 29.48 67.68 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 178.1 169.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.348 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.98 142.45 2.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 166.15 28.53 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -113.77 161.26 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -58.11 -21.02 44.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 3.8 m-20 -70.89 -47.75 57.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.9 -32.59 30.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 29' ' ' SER . 89.9 t -69.45 -47.87 70.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.52 -9.89 58.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.02 -28.93 61.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.54 161.67 50.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.071 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.83 -174.7 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -64.0 -60.54 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.98 -49.38 40.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.616 ' HA ' HD12 ' A' ' 43' ' ' LEU . 97.1 m -61.81 -44.81 96.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -38.04 73.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -51.0 49.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.734 HD22 HG13 ' A' ' 9' ' ' VAL . 1.1 mt -62.4 -44.82 95.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.47 -56.15 24.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -63.34 -25.29 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.45 -56.14 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.612 ' CB ' HD21 ' A' ' 13' ' ' LEU . 67.8 t80 -70.61 -26.45 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -72.3 -42.0 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -75.17 -38.59 60.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.97 -39.46 75.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -44.92 54.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -37.24 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -79.27 -62.89 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -64.85 -59.29 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.47 46.26 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -42.68 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.5 ttm -55.63 -38.22 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -55.72 -52.13 64.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.5 mmt-85 -60.71 -37.65 82.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -54.68 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -44.52 93.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -61.78 -60.89 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 5' ' ' ARG . 90.2 t -55.23 -49.83 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.56 -32.69 71.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.63 -57.39 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.714 ' HD2' HD13 ' A' ' 43' ' ' LEU . 14.8 ptp180 -56.16 -37.88 70.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.642 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -65.02 -55.53 18.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -51.62 -59.32 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.24 -43.06 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -52.0 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.26 -34.25 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -53.47 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -34.68 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -49.66 -65.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -67.29 -11.73 58.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -49.81 18.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -95.91 -48.28 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.49 -41.38 96.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.97 31.19 17.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.37 176.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.14 145.51 2.55 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 171.3 14.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -125.33 160.03 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -21.24 40.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 2.1 t70 -70.69 -47.34 60.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.38 -32.77 29.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 29' ' ' SER . 87.0 t -69.08 -48.11 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.64 -10.58 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.6 -29.23 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.622 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.59 161.26 51.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 111.085 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.622 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.78 179.63 3.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.97 -61.78 2.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -48.38 -55.91 9.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.817 ' HA ' HD12 ' A' ' 43' ' ' LEU . 95.4 m -57.25 -41.97 80.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -42.44 78.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.7 65.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.2 mt -60.49 -51.21 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -56.94 -51.07 70.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.05 -25.82 68.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.6 -60.18 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.642 ' CG ' HD21 ' A' ' 13' ' ' LEU . 87.3 t80 -67.73 -26.42 66.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -43.23 64.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.1 m -71.97 -37.99 69.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mp -72.23 -37.02 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -71.58 -46.61 58.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -42.59 83.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.5 m -70.58 -62.6 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.8 m -65.03 -61.64 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.04 19.05 11.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.946 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.28 42.42 21.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.914 0.388 . . . . 0.0 110.902 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -64.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -51.82 -41.95 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -66.47 -38.18 86.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.95 -55.71 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -64.12 -36.21 83.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -66.37 -54.44 24.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.779 HG13 HD22 ' A' ' 43' ' ' LEU . 87.5 t -65.02 -47.99 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -56.53 -51.54 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -66.08 -42.27 89.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.88 -46.6 88.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.687 HD21 ' CG ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -64.28 -51.49 63.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -51.63 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.35 -43.29 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -51.18 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.49 -32.46 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -74.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.85 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -51.12 -66.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -12.83 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -41.86 51.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -96.48 -44.37 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -72.94 -42.04 63.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.66 31.11 63.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 176.82 -169.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.19 150.03 8.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.83 26.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.747 2.298 . . . . 0.0 112.33 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 33' ' ' VAL . 10.1 m -123.75 157.18 34.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.55 -20.75 34.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.58 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 10.7 m-20 -71.37 -44.72 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.71 -33.0 23.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 29' ' ' SER . 79.2 t -70.0 -49.89 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.66 -7.66 54.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.39 -32.45 62.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.6 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.78 161.05 51.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.6 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.2 Cg_endo -69.81 -175.65 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -59.88 -59.9 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.38 -55.35 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.83 ' HA ' HD12 ' A' ' 43' ' ' LEU . 36.1 m -56.84 -49.61 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -52.87 -37.84 60.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.31 -51.87 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 40' ' ' THR . 0.9 OUTLIER -59.64 -49.29 78.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -57.24 -55.9 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -62.87 -23.81 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.42 -64.2 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.687 ' CG ' HD21 ' A' ' 13' ' ' LEU . 1.3 p90 -67.08 -26.27 66.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -71.81 -40.63 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 85.0 m -74.65 -39.93 61.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.13 -37.78 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -74.78 -46.03 39.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -65.78 -36.38 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.0 m -79.65 -63.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -64.98 -59.67 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.68 46.88 3.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.27 100.56 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -51.27 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.96 -45.84 89.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.529 ' O ' HG23 ' A' ' 9' ' ' VAL . 15.2 mmt180 -66.51 -46.21 77.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -53.82 52.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -59.53 -43.34 93.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -63.48 -60.47 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 43' ' ' LEU . 88.7 t -55.45 -55.16 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -51.92 -46.38 64.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.47 -39.11 91.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -61.51 -49.64 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -48.73 77.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -53.9 -66.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.72 -40.31 62.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -53.65 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.25 -28.69 59.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -67.39 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.13 -32.85 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -60.65 -62.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -67.21 -11.27 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -45.47 44.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.71 -40.04 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt-85 -75.59 -74.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.11 43.5 6.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.41 -169.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.323 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.7 152.26 37.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 179.0 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.0 158.87 43.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -25.53 37.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -41.44 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -35.52 47.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.18 -38.71 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.71 -13.01 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.92 29.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -152.88 162.24 26.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.566 0.698 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.6 Cg_endo -69.8 179.63 3.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.28 -60.55 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.75 -54.64 14.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.7 m -59.91 -43.44 94.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.191 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -53.77 -44.89 70.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 -47.64 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.57 ' CD1' HG13 ' A' ' 9' ' ' VAL . 13.1 mt -55.3 -50.71 68.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -63.19 -61.49 2.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -52.43 -25.8 10.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.11 -60.77 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -65.42 -27.53 68.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -47.36 25.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.7 m -63.76 -40.18 96.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.91 -44.56 65.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -49.53 66.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -62.43 -59.38 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m -51.51 -54.33 28.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.6 m -64.92 -21.99 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.99 20.49 79.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.95 45.98 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -53.74 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.89 -41.21 61.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.8 mmt180 -64.69 -55.89 17.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.55 -37.31 67.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -65.13 -54.68 26.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -60.68 -43.99 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 5' ' ' ARG . 98.3 t -65.04 -61.88 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.56 -33.19 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -68.98 -48.87 62.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -41.29 85.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.667 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -65.97 -52.86 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -51.48 -61.0 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.2 78.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -52.06 -75.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.76 -34.3 38.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.75 78.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -50.04 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -65.29 -12.23 49.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -53.98 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -96.38 -42.98 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -47.52 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.14 33.57 30.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.52 171.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.4 140.64 5.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.833 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.92 29.37 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -111.82 160.76 17.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.45 -21.66 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.2 m-20 -70.28 -46.26 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -35.32 26.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 29' ' ' SER . 91.8 t -67.19 -49.47 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.66 -8.28 56.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -74.23 -30.55 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.607 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.46 161.1 52.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.54 0.685 . . . . 0.0 111.147 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.79 179.24 3.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.6 -58.75 6.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.94 -54.25 21.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.833 ' HA ' HD12 ' A' ' 43' ' ' LEU . 86.7 m -57.41 -48.25 79.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.68 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.33 -51.49 56.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.1 mt -59.12 -50.5 73.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -57.13 -52.9 63.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -62.8 -25.36 68.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.93 -55.58 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.667 ' CB ' HD21 ' A' ' 13' ' ' LEU . 71.0 t80 -69.35 -26.46 64.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -42.33 60.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.2 m -73.61 -36.33 65.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.15 -40.8 64.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -41.96 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -68.28 -46.84 69.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.2 m -66.24 -53.88 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.3 m -65.11 -60.84 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.59 18.53 14.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.482 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 55.56 30.98 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.862 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.4 -38.17 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.67 -42.47 92.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 9' ' ' VAL . 23.1 tpp180 -67.45 -43.35 81.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.08 -53.0 61.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -40.25 96.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.68 -55.66 18.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 5' ' ' ARG . 93.9 t -61.71 -53.32 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -52.61 -48.58 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -42.6 89.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -59.98 -46.2 90.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.589 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.48 -50.11 68.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -52.03 -64.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.08 -41.26 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -52.73 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -51.05 -31.29 18.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -56.95 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -63.47 -28.07 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -58.39 -70.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -63.34 -17.07 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 6.1 mmm-85 -76.69 -38.2 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -96.23 -50.46 4.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -67.63 -51.76 46.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.28 64.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.58 -169.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -56.61 154.66 16.6 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 177.65 5.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.594 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -138.73 156.07 47.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -57.22 -20.96 30.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.8 -46.42 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -30.48 28.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 29' ' ' SER . 93.8 t -71.96 -46.55 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.65 -10.87 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.27 -32.2 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.621 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.57 161.35 51.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.553 0.692 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.621 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.75 -172.87 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.259 . . . . 0.0 112.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.03 -62.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -47.98 -49.66 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.655 ' HA ' HD12 ' A' ' 43' ' ' LEU . 96.9 m -61.11 -46.81 89.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -37.57 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.11 -50.68 53.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.3 mt -62.33 -44.81 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -60.7 -56.02 26.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -63.78 -24.8 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.6 -60.96 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CB ' HD21 ' A' ' 13' ' ' LEU . 14.9 t80 -69.0 -26.28 64.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.73 -41.75 64.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.2 m -73.38 -41.2 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.54 ' O ' HG22 ' A' ' 54' ' ' THR . 1.3 mm? -68.16 -42.14 80.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -70.32 -44.13 68.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -63.86 -40.48 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.3 m -68.42 -54.37 17.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 50' ' ' LEU . 13.8 t -64.91 -24.83 67.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.9 42.81 92.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.952 -179.837 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.73 103.21 15.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.839 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mtt -85.73 -67.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -51.78 -42.03 62.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.9 mmt-85 -64.06 -45.9 86.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.17 -42.46 98.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.01 -44.11 90.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -66.67 -48.8 68.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.723 HG13 HD22 ' A' ' 43' ' ' LEU . 91.9 t -63.61 -50.29 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -57.12 -51.6 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -63.9 -39.73 94.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -65.24 -37.46 87.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -69.63 -61.92 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -48.71 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.8 95.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -52.66 -66.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.52 -33.23 69.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.39 -70.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -64.22 -32.64 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -56.94 -69.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -16.95 54.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -76.61 -47.85 21.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -96.42 -59.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.6 mmt-85 -63.05 -54.56 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.96 38.87 76.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.98 160.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.46 126.32 7.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.98 36.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.715 2.276 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -99.81 163.41 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.61 -21.91 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.62 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 2.6 m-20 -69.06 -44.96 71.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -37.54 21.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' SER . 84.5 t -65.55 -50.76 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -7.04 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -73.68 -25.36 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.61 162.05 49.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.649 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.73 -179.76 3.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.23 . . . . 0.0 112.343 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.32 -62.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.95 -55.83 9.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.814 ' HA ' HD12 ' A' ' 43' ' ' LEU . 96.4 m -57.13 -44.48 83.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -54.86 -40.82 70.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.16 -51.12 57.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.1 mt -59.64 -47.57 85.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -60.32 -61.82 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -55.64 -25.55 39.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.99 -57.82 4.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.7 ' HB2' HD21 ' A' ' 13' ' ' LEU . 83.9 t80 -66.63 -26.36 67.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -43.26 51.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 98.4 m -70.56 -35.67 73.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.27 -42.4 55.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -70.06 -35.92 74.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -76.29 -44.49 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -74.47 -63.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -65.69 -51.29 60.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.81 40.92 2.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 57.8 36.36 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.6 ttp -86.87 -45.69 10.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -52.12 -51.87 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -57.65 -59.67 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -34.64 41.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -52.62 51.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.6 -43.26 97.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.59 HG13 HD22 ' A' ' 43' ' ' LEU . 99.5 t -65.31 -60.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -52.16 -43.91 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -42.03 83.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -61.12 -47.55 85.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -63.78 -54.31 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -51.67 -64.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -44.77 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -51.0 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -50.19 -31.4 13.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -73.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . . . -67.88 -30.18 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -57.26 -70.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.54 -14.96 56.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 50.7 ttm-85 -72.92 -48.04 40.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -96.99 -55.79 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -67.27 -68.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 35.24 53.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 176.6 165.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -44.64 121.07 4.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -169.58 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.234 . . . . 0.0 112.34 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.583 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.0 m -126.21 -177.46 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -66.76 -18.26 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.77 -48.84 52.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -76.45 -31.08 57.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 29' ' ' SER . 72.7 t -69.94 -49.37 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -76.13 -5.85 48.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.92 -30.52 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.51 161.03 52.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.078 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.3 Cg_endo -69.7 -177.06 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.98 -61.36 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -57.71 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.656 ' HA ' HD12 ' A' ' 43' ' ' LEU . 88.1 m -55.79 -40.34 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -45.9 84.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.52 -51.76 67.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -61.31 -45.78 93.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.521 ' OH ' HG22 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -63.16 -60.27 3.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -25.2 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -71.08 -54.94 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.73 ' CD1' HD21 ' A' ' 13' ' ' LEU . 40.8 t80 -72.0 -27.34 62.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -74.27 -45.6 46.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.8 m -71.34 -38.51 71.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 54' ' ' THR . 0.7 OUTLIER -69.8 -44.55 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -68.38 -41.58 80.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.22 -40.67 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.4 m -67.97 -54.23 20.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.611 HG23 ' H ' ' A' ' 56' ' ' GLN . 13.2 t -65.47 -25.1 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.63 -34.46 4.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.611 ' H ' HG23 ' A' ' 54' ' ' THR . 7.3 tp60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 55.72 42.5 29.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 110.885 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -54.16 32.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.93 -41.66 62.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 9' ' ' VAL . 31.8 mmt180 -64.3 -54.93 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -39.75 74.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -54.05 44.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -61.06 -49.73 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.917 HG22 HD11 ' A' ' 43' ' ' LEU . 99.2 t -59.12 -58.28 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -51.79 -42.1 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -67.82 -41.19 83.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' HD2' HG23 ' A' ' 40' ' ' THR . 25.7 mmt-85 -61.5 -47.77 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.757 HD21 ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.09 -54.65 30.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -51.6 -63.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.12 -44.6 64.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -51.09 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -49.8 -31.19 11.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -73.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -67.79 -27.55 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -60.73 -71.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -62.43 -15.33 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -66.29 -57.86 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -97.01 -47.38 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.87 -68.6 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.81 35.26 84.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 176.58 163.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.28 123.05 5.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -168.21 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 33' ' ' VAL . 95.3 p -126.3 -176.48 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -67.99 -18.88 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 3.7 m-20 -70.94 -46.58 62.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -77.49 -35.57 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 29' ' ' SER . 90.6 t -66.84 -50.05 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -4.85 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -73.74 -31.83 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.45 160.95 52.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.611 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.1 Cg_endo -69.73 175.8 7.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.15 -48.11 81.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.02 -62.88 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.474 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 11.4 m -54.93 -38.27 67.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -57.04 -51.1 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.51 -50.64 73.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.917 HD11 HG22 ' A' ' 9' ' ' VAL . 25.3 mt -58.89 -51.46 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE2' HG22 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -59.78 -56.69 18.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -55.54 -25.71 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.7 mt-10 -71.48 -56.41 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.757 ' CD1' HD21 ' A' ' 13' ' ' LEU . 41.4 t80 -70.21 -27.65 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -49.86 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 53' ' ' THR . 91.9 m -66.77 -35.32 79.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 46' ' ' GLU . 29.8 mt -73.67 -43.5 59.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -27.0 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -82.56 -37.15 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 50' ' ' LEU . 8.7 t -79.68 -29.64 40.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -97.47 -20.98 17.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.09 43.05 49.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.925 -179.863 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.02 34.81 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 mmt -88.89 -38.53 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.95 -50.51 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 9' ' ' VAL . 13.9 mmt-85 -61.42 -35.87 78.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 6' ' ' LEU . 5.2 mt -63.32 -54.32 38.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -36.66 84.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.52 -56.0 11.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 5' ' ' ARG . 93.0 t -62.2 -48.3 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -52.77 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.24 -39.71 95.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -65.0 -37.73 88.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.613 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -69.67 -62.59 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -48.9 55.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.67 95.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 30.4 t-105 -52.28 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -55.05 -35.72 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -52.98 -72.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -63.79 -36.16 82.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -51.73 -71.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -59.27 -17.67 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -67.35 -46.15 74.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -96.0 -44.09 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -70.29 -57.29 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.03 33.17 78.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.03 -175.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 146.79 6.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.41 5.59 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.5 151.05 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -50.54 -28.83 9.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.94 -47.35 65.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -70.54 -26.29 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.01 -32.14 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -14.18 59.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.83 -36.49 67.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.79 160.29 53.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.74 -174.87 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.76 -63.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -53.93 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.833 ' HA ' HD12 ' A' ' 43' ' ' LEU . 97.4 m -58.06 -42.43 85.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -56.7 -41.63 77.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.02 70.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.3 mt -62.18 -50.51 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -57.49 -54.33 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -25.11 67.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.09 -61.38 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.613 ' CB ' HD21 ' A' ' 13' ' ' LEU . 5.5 t80 -68.39 -26.37 65.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -41.63 64.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' THR . 94.9 m -73.35 -39.19 65.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.7 -40.15 73.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -72.5 -40.32 66.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -66.78 -48.15 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 49' ' ' THR . 73.3 p -67.43 -54.17 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.5 m -64.91 -22.55 67.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.0 -34.26 4.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.905 -179.887 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.57 100.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mmm -84.95 -61.49 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -52.23 -46.85 65.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 9' ' ' VAL . 52.8 mmt-85 -62.26 -51.67 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.66 -39.21 76.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 ttp85 -63.94 -51.28 65.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -63.01 -47.99 80.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG13 HD22 ' A' ' 43' ' ' LEU . 89.5 t -61.72 -59.43 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -52.16 -42.22 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.75 -41.12 83.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -48.03 82.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.737 HD21 ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -63.8 -54.55 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -51.67 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.33 -45.21 62.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.6 t-105 -50.9 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.62 -30.33 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -72.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 22' ' ' ARG . . . -68.23 -24.8 64.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.12 -68.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -66.27 -12.22 55.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 2.9 mmt180 -75.63 -45.29 38.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -96.4 -42.84 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -86.56 -76.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.47 34.39 12.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 176.79 167.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -44.65 117.5 3.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -169.78 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.628 ' O ' HG23 ' A' ' 33' ' ' VAL . 19.8 p -123.14 -176.36 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -67.05 -17.62 64.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 22.0 m-20 -71.28 -45.29 63.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -79.32 -28.6 42.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' SER . 97.8 t -72.54 -49.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -5.38 47.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . -73.65 -30.83 63.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.609 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.64 160.96 52.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.609 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.7 Cg_endo -69.72 -175.94 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.741 2.294 . . . . 0.0 112.351 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -62.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.5 -56.78 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.589 ' HA ' HD12 ' A' ' 43' ' ' LEU . 89.6 m -56.25 -40.62 74.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.72 -44.59 86.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.99 -52.64 63.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.603 HD22 HG13 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -61.73 -44.47 96.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.472 ' CE2' HG22 ' A' ' 33' ' ' VAL . 1.5 t80 -63.4 -61.1 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -25.11 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.616 ' O ' HD12 ' A' ' 50' ' ' LEU . 38.8 tt0 -70.29 -57.26 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.737 ' CD1' HD21 ' A' ' 13' ' ' LEU . 40.8 t80 -71.22 -27.37 63.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -48.16 27.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 53' ' ' THR . 91.0 m -69.24 -36.64 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 46' ' ' GLU . 4.4 mt -71.49 -44.2 65.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -39.8 80.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -52.02 47.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 49' ' ' THR . 74.3 p -63.9 -52.98 57.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.6 m -64.94 -24.87 67.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.91 19.76 79.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 103.09 15.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mtt -88.65 -68.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.85 -41.59 61.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -66.3 -38.82 88.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -57.21 11.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -61.51 -37.57 84.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -65.59 -58.74 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.736 HG13 HD22 ' A' ' 43' ' ' LEU . 94.0 t -60.27 -50.83 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -54.02 -51.56 63.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.7 -42.22 98.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -59.76 -48.64 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.628 HD21 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -62.47 -47.53 83.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -52.98 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.55 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -51.29 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -56.31 -30.87 63.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.4 78.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -50.5 -65.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -66.9 -10.75 52.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -75.28 -47.36 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -97.73 -43.9 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -74.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.94 29.15 21.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.511 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 176.9 151.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.07 133.38 4.23 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.64 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -122.11 172.28 8.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.22 -19.73 55.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.61 -49.51 25.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -26.66 52.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 29' ' ' SER . 88.0 t -77.84 -39.42 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -75.9 -12.31 60.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.49 -23.63 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.673 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -85.87 162.75 46.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.673 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.1 Cg_endo -69.77 -178.62 2.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -60.26 -65.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.47 -56.82 5.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.826 ' HA ' HD12 ' A' ' 43' ' ' LEU . 94.0 m -56.17 -46.74 79.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -51.66 -42.23 61.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.94 -53.14 43.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -57.7 -52.53 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -55.38 -55.57 30.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -26.1 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.73 -60.11 2.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.628 ' CB ' HD21 ' A' ' 13' ' ' LEU . 81.3 t80 -68.88 -26.15 64.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -74.71 -45.2 45.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 84.0 m -68.69 -39.65 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.571 ' O ' HG22 ' A' ' 54' ' ' THR . 0.2 OUTLIER -70.66 -44.26 67.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -63.46 -48.59 77.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -63.23 -53.9 45.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.3 m -51.15 -59.8 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 50' ' ' LEU . 6.5 t -64.84 -22.13 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.08 39.07 59.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 stop_ save_